{"id":"https://openalex.org/W4411482783","doi":"https://doi.org/10.1007/s10822-025-00607-2","title":"Computer-aided molecular and biological-immune modeling of illicium verum bioactive compounds employing the Egyptian Nile snail Biomphalaria alexandrina as a paradigm","display_name":"Computer-aided molecular and biological-immune modeling of illicium verum bioactive compounds employing the Egyptian Nile snail Biomphalaria alexandrina as a paradigm","publication_year":2025,"publication_date":"2025-06-20","ids":{"openalex":"https://openalex.org/W4411482783","doi":"https://doi.org/10.1007/s10822-025-00607-2","pmid":"https://pubmed.ncbi.nlm.nih.gov/40542210"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-025-00607-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-025-00607-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-025-00607-2.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://link.springer.com/content/pdf/10.1007/s10822-025-00607-2.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5031464821","display_name":"Alya Mashaal","orcid":"https://orcid.org/0000-0002-5369-243X"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":true,"raw_author_name":"Alya Mashaal","raw_affiliation_strings":["Immunology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt. alyamashaal@azhar.edu.eg"],"affiliations":[{"raw_affiliation_string":"Immunology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt. alyamashaal@azhar.edu.eg","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012886424","display_name":"Basma M. Abou El-Nour","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Basma M. Abou El-Nour","raw_affiliation_strings":["Parasitology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Parasitology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061885275","display_name":"Fatma Ahmed Ismail","orcid":"https://orcid.org/0000-0002-7877-6058"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Fatma M. Ismail","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118640476","display_name":"\u0627\u0644\u062a\u062d\u0631\u064a\u0631 \u0647\u064a\u0626\u0629","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Eman A. Elewa","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118513221","display_name":"Eman A Elnoby","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Eman A. Elnoby","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118453737","display_name":"Eman B Ebada","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Eman B. Ebada","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063978960","display_name":"Abd El-Salam I. Mohammed","orcid":"https://orcid.org/0000-0002-5554-9602"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Ayaat G. Mohammed","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118576267","display_name":"Manar F El-Sahmawy","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Manar F. El-Sahmawy","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5059791327","display_name":"Mahmoud Mansour","orcid":"https://orcid.org/0000-0002-5433-9590"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Mariam M. Mansour","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118576266","display_name":"Nermeen N Khames","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Nermeen N. Khames","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5016623787","display_name":"H. Y. Ghorab","orcid":"https://orcid.org/0000-0001-6960-736X"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Hend M. Ghorab","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112650097","display_name":"S. Osman","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Safaa A. Osman","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017908328","display_name":"Ahmad Elsaid","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Alshimaa A. Elsaid","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5118640475","display_name":"\u0633\u0647\u064a\u0644 \u0641\u0647\u062f \u0633\u0644\u0627\u0645\u0629","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Maryam M. Abd-Alaziz","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108627556","display_name":"A. ZAYED","orcid":null},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Asmaa S. Zayed","raw_affiliation_strings":["Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Special Zoology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063869064","display_name":"Asmaa A. Abo Elqasem","orcid":"https://orcid.org/0000-0002-8735-1166"},"institutions":[{"id":"https://openalex.org/I184834183","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145","country_code":"EG","type":"education","lineage":["https://openalex.org/I184834183"]}],"countries":["EG"],"is_corresponding":false,"raw_author_name":"Asmaa A. Abo Elqasem","raw_affiliation_strings":["Immunology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt"],"affiliations":[{"raw_affiliation_string":"Immunology, Zoology and Entomology Department, Faculty of Science, Al- Azhar University (Girl's Branch), Cairo, Egypt","institution_ids":["https://openalex.org/I184834183"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":16,"corresponding_author_ids":["https://openalex.org/A5031464821"],"corresponding_institution_ids":["https://openalex.org/I184834183"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":{"value":2890,"currency":"EUR","value_usd":3690},"fwci":3.0812,"has_fulltext":true,"cited_by_count":3,"citation_normalized_percentile":{"value":0.91585869,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":95,"max":99},"biblio":{"volume":"39","issue":"1","first_page":"33","last_page":"33"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13677","display_name":"Magnolia and Illicium research","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/2742","display_name":"Rehabilitation"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T13677","display_name":"Magnolia and Illicium research","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/2742","display_name":"Rehabilitation"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T12817","display_name":"Pharmacological Effects of Natural Compounds","score":0.991599977016449,"subfield":{"id":"https://openalex.org/subfields/3004","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T12721","display_name":"Moringa oleifera research and applications","score":0.9908000230789185,"subfield":{"id":"https://openalex.org/subfields/1110","display_name":"Plant Science"},"field":{"id":"https://openalex.org/fields/11","display_name":"Agricultural and Biological Sciences"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/phytochemical","display_name":"Phytochemical","score":0.6209213137626648},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.594838559627533},{"id":"https://openalex.org/keywords/snail","display_name":"Snail","score":0.5523949265480042},{"id":"https://openalex.org/keywords/in-vivo","display_name":"In vivo","score":0.4967244267463684},{"id":"https://openalex.org/keywords/quercetin","display_name":"Quercetin","score":0.4797466993331909},{"id":"https://openalex.org/keywords/immune-system","display_name":"Immune system","score":0.47945988178253174},{"id":"https://openalex.org/keywords/oxidative-stress","display_name":"Oxidative stress","score":0.4494459629058838},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.4207385778427124},{"id":"https://openalex.org/keywords/traditional-medicine","display_name":"Traditional medicine","score":0.3558669090270996},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.3313212990760803},{"id":"https://openalex.org/keywords/antioxidant","display_name":"Antioxidant","score":0.2541593611240387},{"id":"https://openalex.org/keywords/immunology","display_name":"Immunology","score":0.11519542336463928},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.08727988600730896},{"id":"https://openalex.org/keywords/biotechnology","display_name":"Biotechnology","score":0.05962434411048889}],"concepts":[{"id":"https://openalex.org/C195475562","wikidata":"https://www.wikidata.org/wiki/Q1639139","display_name":"Phytochemical","level":2,"score":0.6209213137626648},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.594838559627533},{"id":"https://openalex.org/C2779965526","wikidata":"https://www.wikidata.org/wiki/Q308841","display_name":"Snail","level":2,"score":0.5523949265480042},{"id":"https://openalex.org/C207001950","wikidata":"https://www.wikidata.org/wiki/Q141124","display_name":"In vivo","level":2,"score":0.4967244267463684},{"id":"https://openalex.org/C2781263971","wikidata":"https://www.wikidata.org/wiki/Q409478","display_name":"Quercetin","level":3,"score":0.4797466993331909},{"id":"https://openalex.org/C8891405","wikidata":"https://www.wikidata.org/wiki/Q1059","display_name":"Immune system","level":2,"score":0.47945988178253174},{"id":"https://openalex.org/C2776151105","wikidata":"https://www.wikidata.org/wiki/Q898814","display_name":"Oxidative stress","level":2,"score":0.4494459629058838},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.4207385778427124},{"id":"https://openalex.org/C556039675","wikidata":"https://www.wikidata.org/wiki/Q771035","display_name":"Traditional medicine","level":1,"score":0.3558669090270996},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.3313212990760803},{"id":"https://openalex.org/C2778004101","wikidata":"https://www.wikidata.org/wiki/Q133948","display_name":"Antioxidant","level":2,"score":0.2541593611240387},{"id":"https://openalex.org/C203014093","wikidata":"https://www.wikidata.org/wiki/Q101929","display_name":"Immunology","level":1,"score":0.11519542336463928},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.08727988600730896},{"id":"https://openalex.org/C150903083","wikidata":"https://www.wikidata.org/wiki/Q7108","display_name":"Biotechnology","level":1,"score":0.05962434411048889},{"id":"https://openalex.org/C18903297","wikidata":"https://www.wikidata.org/wiki/Q7150","display_name":"Ecology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000818","descriptor_name":"Animals","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000893","descriptor_name":"Anti-Inflammatory Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000975","descriptor_name":"Antioxidants","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000276","qualifier_name":"immunology","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000276","qualifier_name":"immunology","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000276","qualifier_name":"immunology","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000469","qualifier_name":"parasitology","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000469","qualifier_name":"parasitology","is_major_topic":true},{"descriptor_ui":"D001700","descriptor_name":"Biomphalaria","qualifier_ui":"Q000469","qualifier_name":"parasitology","is_major_topic":true},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005419","descriptor_name":"Flavonoids","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D008975","descriptor_name":"Molluscacides","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D010936","descriptor_name":"Plant Extracts","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D012550","descriptor_name":"Schistosoma mansoni","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D012550","descriptor_name":"Schistosoma mansoni","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D012550","descriptor_name":"Schistosoma mansoni","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D018384","descriptor_name":"Oxidative Stress","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D018384","descriptor_name":"Oxidative Stress","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D018384","descriptor_name":"Oxidative Stress","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D062105","descriptor_name":"Molecular Docking Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1007/s10822-025-00607-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-025-00607-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-025-00607-2.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:40542210","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/40542210","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of computer-aided molecular design","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:12181124","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/12181124","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC12181124/pdf/10822_2025_Article_607.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Comput Aided Mol Des","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1007/s10822-025-00607-2","is_oa":true,"landing_page_url":"https://doi.org/10.1007/s10822-025-00607-2","pdf_url":"https://link.springer.com/content/pdf/10.1007/s10822-025-00607-2.pdf","source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/12","display_name":"Responsible consumption and production","score":0.47999998927116394}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321655","display_name":"Science and Technology Development Fund","ror":"https://ror.org/044vr6g03"},{"id":"https://openalex.org/F4320330007","display_name":"Al-Azhar University","ror":"https://ror.org/05fnp1145"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4411482783.pdf","grobid_xml":"https://content.openalex.org/works/W4411482783.grobid-xml"},"referenced_works_count":68,"referenced_works":["https://openalex.org/W1983310681","https://openalex.org/W2006508993","https://openalex.org/W2016366688","https://openalex.org/W2018331606","https://openalex.org/W2056037937","https://openalex.org/W2077890079","https://openalex.org/W2080194216","https://openalex.org/W2095335988","https://openalex.org/W2106500376","https://openalex.org/W2118090983","https://openalex.org/W2150845922","https://openalex.org/W2157976647","https://openalex.org/W2239892838","https://openalex.org/W2278685997","https://openalex.org/W2401806318","https://openalex.org/W2602984442","https://openalex.org/W2740695644","https://openalex.org/W2756508885","https://openalex.org/W2762662966","https://openalex.org/W2770587522","https://openalex.org/W2794936102","https://openalex.org/W2900791605","https://openalex.org/W2938162603","https://openalex.org/W2991584307","https://openalex.org/W3003346289","https://openalex.org/W3004458524","https://openalex.org/W3048251931","https://openalex.org/W3084261392","https://openalex.org/W3132109460","https://openalex.org/W3168436232","https://openalex.org/W3175808473","https://openalex.org/W3192859641","https://openalex.org/W3198406182","https://openalex.org/W3200686389","https://openalex.org/W3211566057","https://openalex.org/W4205588764","https://openalex.org/W4211240135","https://openalex.org/W4224254740","https://openalex.org/W4285811743","https://openalex.org/W4288459479","https://openalex.org/W4298375005","https://openalex.org/W4300198507","https://openalex.org/W4311142929","https://openalex.org/W4311939010","https://openalex.org/W4319599941","https://openalex.org/W4321374888","https://openalex.org/W4378780788","https://openalex.org/W4379376953","https://openalex.org/W4384283085","https://openalex.org/W4385310166","https://openalex.org/W4386696991","https://openalex.org/W4388221164","https://openalex.org/W4389311970","https://openalex.org/W4391427435","https://openalex.org/W4392593022","https://openalex.org/W4392626232","https://openalex.org/W4395012026","https://openalex.org/W4395049382","https://openalex.org/W4395676402","https://openalex.org/W4396494607","https://openalex.org/W4398238279","https://openalex.org/W4402455300","https://openalex.org/W4402721003","https://openalex.org/W4402745563","https://openalex.org/W4402896663","https://openalex.org/W4403096611","https://openalex.org/W4404636823","https://openalex.org/W4406596650"],"related_works":["https://openalex.org/W4306398780","https://openalex.org/W4386696306","https://openalex.org/W2186086384","https://openalex.org/W2136476259","https://openalex.org/W2323696430","https://openalex.org/W3088223198","https://openalex.org/W2369829754","https://openalex.org/W1902655080","https://openalex.org/W2156648832","https://openalex.org/W1527922540"],"abstract_inverted_index":{"In":[0,109],"pursuit":[1],"of":[2,26,53,65,154,186,250,260,272,288],"sustainable":[3,295],"biocontrol":[4],"strategies,":[5],"this":[6],"study":[7,177],"explores":[8],"Illicium":[9,180],"verum":[10,55,181],"(star":[11],"anise)":[12],"as":[13,29,92,103,198,228,280],"a":[14,41,45,50,62,212,281],"dual-action":[15],"anti-inflammatory/oxidative":[16],"and":[17,44,70,77,84,90,107,115,131,135,140,151,158,171,192,208,217,230,241,252,270,291],"molluscicidal":[18,290],"agent":[19],"using":[20],"Biomphalaria":[21],"alexandrina,":[22],"the":[23,148,248,263,268,286],"intermediate":[24],"host":[25],"Schistosoma":[27],"mansoni,":[28],"an":[30,199],"eco-relevant":[31],"in":[32,71,147,195,206],"vivo":[33,72,110],"model.":[34,201],"Two":[35],"experimental":[36,273],"snail":[37,100],"groups":[38],"were":[39,118],"employed:":[40],"control":[42,297],"group":[43,47],"treatment":[46],"exposed":[48],"to":[49,98,169,237],"sublethal":[51],"concentration":[52],"I.":[54],"extract":[56],"(LC\u2081\u2080":[57],"=":[58],"315":[59],"ppm).":[60],"Through":[61],"combined":[63],"pipeline":[64],"phytochemical":[66,203,222],"profiling,":[67],"computational":[68,232],"simulations,":[69],"assays,":[73,123],"we":[74],"identified":[75],"flavonoids":[76,229],"phenylpropanoids":[78],"with":[79,205],"potent":[80],"bioactivity.":[81],"Molecular":[82],"docking":[83],"ADMET":[85],"screening":[86],"highlighted":[87],"kaempferol,":[88],"quercetin,":[89],"rutin":[91],"top":[93],"ligands,":[94],"which":[95,124],"bind":[96],"effectively":[97],"key":[99,225],"proteins":[101],"such":[102,227],"cytochrome":[104],"c":[105],"oxidase":[106],"actin.":[108],"analyses":[111],"confirmed":[112],"immunomodulatory":[113],"effects,":[114],"these":[116,163],"findings":[117,164],"validated":[119],"through":[120],"oxidative/inflammatory":[121],"biomarker":[122],"revealed":[125,143],"altered":[126],"cytokine":[127],"levels":[128],"(IFN-\u03b3,":[129],"IL-2":[130],"IL-6),":[132],"tissue":[133,145,193],"remodeling,":[134],"reduced":[136],"oxidative":[137,172,188],"stress.":[138],"Histopathological":[139],"immunohistochemical":[141],"evaluations":[142],"significant":[144],"alterations":[146],"digestive":[149],"gland":[150],"head-foot":[152],"regions":[153],"treated":[155],"snails.":[156],"Gene":[157],"protein":[159],"interaction":[160],"networks":[161],"supported":[162],"by":[165],"linking":[166],"compound":[167],"action":[168,261],"immune":[170,190],"regulatory":[173],"pathways.":[174],"This":[175,243],"integrative":[176],"demonstrated":[178],"that":[179],"contains":[182],"bioactive":[183,219],"compounds":[184,254],"capable":[185],"modulating":[187],"stress,":[189],"responses,":[191],"integrity":[194],"B.":[196],"alexandrina":[197],"animal":[200],"Integrating":[202],"analysis":[204],"silico":[207],"molecular":[209,264],"simulations":[210],"offers":[211],"powerful":[213],"approach":[214],"for":[215,285],"understanding":[216],"optimizing":[218],"compounds.":[220],"While":[221],"profiling":[223],"identifies":[224],"constituents":[226],"phenylpropanoids,":[231],"tools":[233],"predict":[234],"their":[235,258],"binding":[236],"biological":[238],"targets,":[239],"pharmacokinetics,":[240],"safety.":[242],"combination":[244],"not":[245],"only":[246],"streamlines":[247],"discovery":[249],"effective":[251],"low-toxicity":[253],"but":[255],"also":[256],"clarifies":[257],"mechanisms":[259],"at":[262],"level,":[265],"enhancing":[266],"both":[267],"precision":[269],"efficiency":[271],"validation.":[274],"These":[275],"results":[276],"position":[277],"star":[278],"anise":[279],"promising,":[282],"eco-friendly":[283],"candidate":[284],"development":[287],"novel":[289],"anti-inflammatory":[292],"agents":[293],"supporting":[294],"disease":[296],"strategies.":[298]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}