{"id":"https://openalex.org/W7203788929","doi":"https://doi.org/10.2139/ssrn.7284126","title":"Integrated Network Pharmacology, Molecular Docking, Molecular Dynamics, ADMET, Ligand/Drug Design, and Biological Target","display_name":"Integrated Network Pharmacology, Molecular Docking, Molecular Dynamics, ADMET, Ligand/Drug Design, and Biological Target","publication_year":2026,"publication_date":"2026-01-01","ids":{"openalex":"https://openalex.org/W7203788929","doi":"https://doi.org/10.2139/ssrn.7284126"},"language":"en","primary_location":{"id":"doi:10.2139/ssrn.7284126","doi":"https://doi.org/10.2139/ssrn.7284126","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.7284126","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"volume":null,"type":"preprint","is_traditional":true,"indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"green","oa_url":"https://doi.org/10.2139/ssrn.7284126","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5027914879","display_name":"Nwaogwugwu Joel Caleb","orcid":"https://orcid.org/0000-0002-4655-8312","observed_orcids":["https://orcid.org/0000-0002-4655-8312"]},"institutions":[{"id":"https://openalex.org/I100352790","display_name":"Abia State University","ror":"https://ror.org/03a39z514","country_code":"NG","type":"education","lineage":["https://openalex.org/I100352790"]},{"id":"https://openalex.org/I250520410","display_name":"Prairie View A&M University","ror":"https://ror.org/0449kf092","country_code":"US","type":"education","lineage":["https://openalex.org/I250520410"]}],"countries":["NG","US"],"is_corresponding":true,"raw_author_name":"CALEB NWAOGWUGWU","raw_affiliation_strings":["ABIA STATE UNIVERSITY, UTURU, NIGERIA, UTURU, ISUIKWUATO, ABIA STATE, AR, Nigeria","PRAIRIE VIEW A AND M UNIVERSITY, 714 University Drive, Prairie View, Texa, Prairie View, TX 77445, United States"],"raw_orcid":"https://orcid.org/0000-0002-4655-8312","affiliations":[{"raw_affiliation_string":"ABIA STATE UNIVERSITY, UTURU, NIGERIA, UTURU, ISUIKWUATO, ABIA STATE, AR, Nigeria","institution_ids":["https://openalex.org/I100352790"]},{"raw_affiliation_string":"PRAIRIE VIEW A AND M UNIVERSITY, 714 University Drive, Prairie View, Texa, Prairie View, TX 77445, United States","institution_ids":["https://openalex.org/I250520410"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051991281","display_name":"Catherine W. Kisavi-Atatah","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I250520410","display_name":"Prairie View A&M University","ror":"https://ror.org/0449kf092","country_code":"US","type":"education","lineage":["https://openalex.org/I250520410"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Catherine Kisavi-Atatah","raw_affiliation_strings":["Prairie View A&M University, PO Box 188, Prairie View, TX 77446-0188, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Prairie View A&M University, PO Box 188, Prairie View, TX 77446-0188, United States","institution_ids":["https://openalex.org/I250520410"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5023664710","display_name":"Angela Branch-Vital","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I250520410","display_name":"Prairie View A&M University","ror":"https://ror.org/0449kf092","country_code":"US","type":"education","lineage":["https://openalex.org/I250520410"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Angela Branch-Vital","raw_affiliation_strings":["Prairie View A&M University, PO Box 188, Prairie View, TX 77446-0188, United States"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Prairie View A&M University, PO Box 188, Prairie View, TX 77446-0188, United States","institution_ids":["https://openalex.org/I250520410"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5027914879"],"corresponding_institution_ids":["https://openalex.org/I100352790","https://openalex.org/I250520410"],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965999722480774,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"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/T14521","display_name":"Medicinal Plant Research","score":0.0003000000142492354,"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"}},{"id":"https://openalex.org/T12257","display_name":"Bioactive natural compounds","score":0.00019999999494757503,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/anticancer-phytochemicals","display_name":"anticancer phytochemicals","score":0.8930000066757202},{"id":"https://openalex.org/keywords/mthfd2","display_name":"MTHFD2","score":0.9449999928474426},{"id":"https://openalex.org/keywords/dihydrofolate-reductase","display_name":"dihydrofolate reductase","score":0.9179999828338623},{"id":"https://openalex.org/keywords/egfr","display_name":"EGFR","score":0.9850000143051147},{"id":"https://openalex.org/keywords/justicidin-b","display_name":"justicidin B","score":0.9700000286102295},{"id":"https://openalex.org/keywords/nevadensin","display_name":"nevadensin","score":0.996999979019165},{"id":"https://openalex.org/keywords/apigenin-7-o-glucoside","display_name":"apigenin-7-O-glucoside","score":0.996999979019165},{"id":"https://openalex.org/keywords/compound-target-interactions","display_name":"compound-target interactions","score":0.5080000162124634},{"id":"https://openalex.org/keywords/drug-likeness","display_name":"drug-likeness","score":0.675000011920929},{"id":"https://openalex.org/keywords/subcellular-localization","display_name":"subcellular localization","score":0.703000009059906},{"id":"https://openalex.org/keywords/molecular-docking","display_name":"molecular docking","score":0.5270000100135803},{"id":"https://openalex.org/keywords/molecular-dynamics","display_name":"molecular dynamics","score":0.7889999747276306},{"id":"https://openalex.org/keywords/admet-prediction","display_name":"ADMET prediction","score":0.5770000219345093},{"id":"https://openalex.org/keywords/drug-design","display_name":"drug design","score":0.3790000081062317}],"concepts":[{"id":"https://openalex.org/C202264299","wikidata":"https://www.wikidata.org/wiki/Q905695","display_name":"UniProt","level":3,"score":0.9154000282287598},{"id":"https://openalex.org/C2780152424","wikidata":"https://www.wikidata.org/wiki/Q4826062","display_name":"AutoDock","level":4,"score":0.7590000033378601},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5788999795913696},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5717999935150146},{"id":"https://openalex.org/C2776879804","wikidata":"https://www.wikidata.org/wiki/Q7630919","display_name":"Subcellular localization","level":3,"score":0.5497000217437744},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.3935999870300293},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3772999942302704},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3752000033855438},{"id":"https://openalex.org/C2989108626","wikidata":"https://www.wikidata.org/wiki/Q904407","display_name":"Drug target","level":2,"score":0.3736000061035156},{"id":"https://openalex.org/C28225019","wikidata":"https://www.wikidata.org/wiki/Q4915005","display_name":"Biological network","level":2,"score":0.35019999742507935},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3440999984741211},{"id":"https://openalex.org/C155261790","wikidata":"https://www.wikidata.org/wiki/Q1122544","display_name":"DrugBank","level":3,"score":0.3093000054359436},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.30809998512268066},{"id":"https://openalex.org/C2780430158","wikidata":"https://www.wikidata.org/wiki/Q7685902","display_name":"Target protein","level":3,"score":0.304500013589859},{"id":"https://openalex.org/C107824862","wikidata":"https://www.wikidata.org/wiki/Q616005","display_name":"Binding site","level":2,"score":0.295199990272522},{"id":"https://openalex.org/C2779446555","wikidata":"https://www.wikidata.org/wiki/Q7663877","display_name":"Systems pharmacology","level":3,"score":0.27730000019073486},{"id":"https://openalex.org/C116073593","wikidata":"https://www.wikidata.org/wiki/Q864491","display_name":"Biological activity","level":3,"score":0.2687000036239624},{"id":"https://openalex.org/C51632099","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Training set","level":2,"score":0.2644999921321869},{"id":"https://openalex.org/C51639874","wikidata":"https://www.wikidata.org/wiki/Q167149","display_name":"Plasma protein binding","level":2,"score":0.26409998536109924},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.26260000467300415},{"id":"https://openalex.org/C55105296","wikidata":"https://www.wikidata.org/wiki/Q841382","display_name":"Interaction network","level":3,"score":0.257099986076355},{"id":"https://openalex.org/C152662350","wikidata":"https://www.wikidata.org/wiki/Q815297","display_name":"Systems biology","level":2,"score":0.25699999928474426},{"id":"https://openalex.org/C2776194525","wikidata":"https://www.wikidata.org/wiki/Q282142","display_name":"Glioblastoma","level":2,"score":0.2502000033855438}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.2139/ssrn.7284126","doi":"https://doi.org/10.2139/ssrn.7284126","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.7284126","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"}],"best_oa_location":{"id":"doi:10.2139/ssrn.7284126","doi":"https://doi.org/10.2139/ssrn.7284126","is_oa":true,"landing_page_url":"https://doi.org/10.2139/ssrn.7284126","pdf_url":null,"source":{"id":"https://openalex.org/S4210172589","display_name":"SSRN Electronic Journal","issn_l":"1556-5068","issn":["1556-5068"],"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1318003438","host_organization_name":"RELX Group (Netherlands)","host_organization_lineage":["https://openalex.org/I1318003438"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"posted-content"},"sustainable_development_goals":[{"display_name":"Good health and well-being","score":0.8199999928474426,"id":"https://metadata.un.org/sdg/3"}],"study_designs":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":["https://openalex.org/W7171417647","https://openalex.org/W7213248359","https://openalex.org/W7213560905","https://openalex.org/W7213562218","https://openalex.org/W4401911425","https://openalex.org/W4324061722","https://openalex.org/W6991806105","https://openalex.org/W7202085784","https://openalex.org/W4405733340","https://openalex.org/W7214965366"],"abstract_inverted_index":null,"counts_by_year":[],"updated_date":"2026-11-09T13:22:03.289127","created_date":"2026-08-20T00:00:00"}