{"id":"https://openalex.org/W4319081563","doi":"https://doi.org/10.3389/fmicb.2022.1095068","title":"Identification of natural compounds as SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation","display_name":"Identification of natural compounds as SARS-CoV-2 inhibitors via molecular docking and molecular dynamic simulation","publication_year":2023,"publication_date":"2023-02-01","ids":{"openalex":"https://openalex.org/W4319081563","doi":"https://doi.org/10.3389/fmicb.2022.1095068","pmid":"https://pubmed.ncbi.nlm.nih.gov/36817101","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/9930647"},"language":"en","primary_location":{"id":"doi:10.3389/fmicb.2022.1095068","doi":"https://doi.org/10.3389/fmicb.2022.1095068","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fmicb.2022.1095068","pdf_url":"https://www.frontiersin.org/articles/10.3389/fmicb.2022.1095068/pdf","source":{"id":"https://openalex.org/S2484704948","display_name":"Frontiers in Microbiology","issn_l":"1664-302X","issn":["1664-302X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Microbiology","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.frontiersin.org/articles/10.3389/fmicb.2022.1095068/pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103120791","display_name":"Tiantian Han","orcid":"https://orcid.org/0000-0002-4635-7174","observed_orcids":["https://orcid.org/0000-0002-4635-7174"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tiantian Han","raw_affiliation_strings":["The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5047164350","display_name":"Ziqing Luo","orcid":"https://orcid.org/0000-0003-2566-0278","observed_orcids":["https://orcid.org/0000-0003-2566-0278"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ziqing Luo","raw_affiliation_strings":["Laboratory Animal Center, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory Animal Center, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075473443","display_name":"Lichun Ji","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lichun Ji","raw_affiliation_strings":["The Third Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The Third Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101750585","display_name":"Peng Wu","orcid":"https://orcid.org/0000-0003-0447-023X","observed_orcids":["https://orcid.org/0000-0003-0447-023X"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Peng Wu","raw_affiliation_strings":["The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101693991","display_name":"Li Geng","orcid":"https://orcid.org/0000-0003-2839-5641","observed_orcids":["https://orcid.org/0000-0003-2839-5641"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Geng Li","raw_affiliation_strings":["Laboratory Animal Center, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Laboratory Animal Center, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100321212","display_name":"Xiaohong Liu","orcid":"https://orcid.org/0000-0003-4795-3039","observed_orcids":["https://orcid.org/0000-0003-4795-3039"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Xiaohong Liu","raw_affiliation_strings":["The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"The First Clinical Medical College, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103164020","display_name":"Yanni Lai","orcid":"https://orcid.org/0000-0002-9715-5871","observed_orcids":["https://orcid.org/0000-0002-9715-5871"]},"institutions":[{"id":"https://openalex.org/I117532281","display_name":"Guangzhou University of Chinese Medicine","ror":"https://ror.org/03qb7bg95","country_code":"CN","type":"education","lineage":["https://openalex.org/I117532281"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yanni Lai","raw_affiliation_strings":["School of Basic Medical Sciences, Guangzhou University of Chinese Medicine, Guangzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Basic Medical Sciences, Guangzhou University of Chinese Medicine, Guangzhou, China","institution_ids":["https://openalex.org/I117532281"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5100321212","https://openalex.org/A5101693991","https://openalex.org/A5103164020"],"corresponding_institution_ids":["https://openalex.org/I117532281"],"apc_list":{"value":3295,"currency":"USD","value_usd":3295},"apc_paid":{"value":3295,"currency":"USD","value_usd":3295},"fwci":0.8702,"has_fulltext":true,"cited_by_count":10,"citation_normalized_percentile":{"value":0.68784681,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"13","issue":null,"first_page":"1095068","last_page":"1095068"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9164999723434448,"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":0.9164999723434448,"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/T10118","display_name":"SARS-CoV-2 and COVID-19 Research","score":0.06610000133514404,"subfield":{"id":"https://openalex.org/subfields/2725","display_name":"Infectious Diseases"},"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/T14521","display_name":"Medicinal Plant Research","score":0.0017000000225380063,"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/sars-cov-2","display_name":"SARS-CoV-2","score":0.9959999918937683},{"id":"https://openalex.org/keywords/covid-19","display_name":"COVID-19 pandemic","score":0.8820000290870667},{"id":"https://openalex.org/keywords/spike-protein","display_name":"spike protein","score":0.7979999780654907},{"id":"https://openalex.org/keywords/ace2-receptor","display_name":"ACE2 receptor","score":0.8389999866485596},{"id":"https://openalex.org/keywords/phytochemicals","display_name":"phytochemicals","score":0.9229999780654907},{"id":"https://openalex.org/keywords/chinese-herbal-medicine","display_name":"Chinese herbal medicine","score":0.9440000057220459},{"id":"https://openalex.org/keywords/antiviral-agents","display_name":"antiviral agents","score":0.6019999980926514},{"id":"https://openalex.org/keywords/delta-variant","display_name":"Delta variant","score":0.777999997138977},{"id":"https://openalex.org/keywords/lambda-variant","display_name":"Lambda variant","score":0.9980000257492065},{"id":"https://openalex.org/keywords/protein-protein-docking","display_name":"protein-protein docking","score":0.5720000267028809},{"id":"https://openalex.org/keywords/molecular-dynamics-simulation","display_name":"molecular dynamics simulation","score":0.6589999794960022},{"id":"https://openalex.org/keywords/drug-repurposing","display_name":"drug repurposing","score":0.6100000143051147},{"id":"https://openalex.org/keywords/physalin-b","display_name":"physalin B","score":0.828000009059906}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.7183464765548706},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5827656388282776},{"id":"https://openalex.org/C3007834351","wikidata":"https://www.wikidata.org/wiki/Q82069695","display_name":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2)","level":5,"score":0.5458735227584839},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5083820223808289},{"id":"https://openalex.org/C59593255","wikidata":"https://www.wikidata.org/wiki/Q901663","display_name":"Molecular dynamics","level":2,"score":0.455064982175827},{"id":"https://openalex.org/C3008058167","wikidata":"https://www.wikidata.org/wiki/Q84263196","display_name":"Coronavirus disease 2019 (COVID-19)","level":4,"score":0.39639919996261597},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.3802781105041504},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3453885316848755},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.16112101078033447},{"id":"https://openalex.org/C524204448","wikidata":"https://www.wikidata.org/wiki/Q788926","display_name":"Infectious disease (medical specialty)","level":3,"score":0.1421252191066742},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.08616301417350769},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C2779134260","wikidata":"https://www.wikidata.org/wiki/Q12136","display_name":"Disease","level":2,"score":0.0},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3389/fmicb.2022.1095068","doi":"https://doi.org/10.3389/fmicb.2022.1095068","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fmicb.2022.1095068","pdf_url":"https://www.frontiersin.org/articles/10.3389/fmicb.2022.1095068/pdf","source":{"id":"https://openalex.org/S2484704948","display_name":"Frontiers in Microbiology","issn_l":"1664-302X","issn":["1664-302X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Microbiology","raw_type":"journal-article"},{"id":"pmh:oai:pubmedcentral.nih.gov:9930647","doi":null,"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/9930647","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC9930647/pdf/fmicb-13-1095068.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"listed_in":[],"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":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Front Microbiol","raw_type":"Text"},{"id":"pmid:36817101","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36817101","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,"listed_in":[],"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":"Frontiers in microbiology","raw_type":"Journal Article"},{"id":"pmh:oai:doaj.org/article:66f20cb0cbaa4b72a8347b6e9e712410","doi":null,"is_oa":true,"landing_page_url":"https://doaj.org/article/66f20cb0cbaa4b72a8347b6e9e712410","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Frontiers in Microbiology, Vol 13 (2023)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.3389/fmicb.2022.1095068","doi":"https://doi.org/10.3389/fmicb.2022.1095068","is_oa":true,"landing_page_url":"https://doi.org/10.3389/fmicb.2022.1095068","pdf_url":"https://www.frontiersin.org/articles/10.3389/fmicb.2022.1095068/pdf","source":{"id":"https://openalex.org/S2484704948","display_name":"Frontiers in Microbiology","issn_l":"1664-302X","issn":["1664-302X"],"is_oa":true,"is_in_doaj":true,"is_core":true,"listed_in":["cwts-core","doaj","jufo-1","ki-jl-1","norway-2","poland-100","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320527","host_organization_name":"Frontiers Media","host_organization_lineage":["https://openalex.org/P4310320527"],"host_organization_lineage_names":["Frontiers Media"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Microbiology","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.8048999905586243}],"study_designs":[],"awards":[{"id":"https://openalex.org/G3856338246","display_name":null,"funder_award_id":"2021M700965","funder_id":"https://openalex.org/F4320321543","funder_display_name":"China Postdoctoral Science Foundation"},{"id":"https://openalex.org/G4287512213","display_name":null,"funder_award_id":"JSGG20220226090550002","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6322278640","display_name":null,"funder_award_id":"81973814","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7102591444","display_name":null,"funder_award_id":"JSGG20220226090550002","funder_id":"https://openalex.org/F4320326705","funder_display_name":"Science, Technology and Innovation Commission of Shenzhen Municipality"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320321543","display_name":"China Postdoctoral Science Foundation","ror":"https://ror.org/0426zh255"},{"id":"https://openalex.org/F4320326705","display_name":"Science, Technology and Innovation Commission of Shenzhen Municipality","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4319081563.pdf","grobid_xml":"https://content.openalex.org/works/W4319081563.grobid-xml"},"referenced_works_count":44,"referenced_works":["https://openalex.org/W1968278549","https://openalex.org/W2004993513","https://openalex.org/W2008226909","https://openalex.org/W2052709840","https://openalex.org/W2052899657","https://openalex.org/W2157165549","https://openalex.org/W2407118672","https://openalex.org/W2413954556","https://openalex.org/W2428865981","https://openalex.org/W2483264216","https://openalex.org/W2791599025","https://openalex.org/W2809461077","https://openalex.org/W3009335299","https://openalex.org/W3010497490","https://openalex.org/W3011090040","https://openalex.org/W3011408171","https://openalex.org/W3013949914","https://openalex.org/W3014067025","https://openalex.org/W3029177955","https://openalex.org/W3035931769","https://openalex.org/W3046843764","https://openalex.org/W3093858041","https://openalex.org/W3097290827","https://openalex.org/W3107112434","https://openalex.org/W3111593829","https://openalex.org/W3112865260","https://openalex.org/W3120224916","https://openalex.org/W3128633239","https://openalex.org/W3137629645","https://openalex.org/W3200105324","https://openalex.org/W3200679256","https://openalex.org/W3210962932","https://openalex.org/W3216667692","https://openalex.org/W4200104879","https://openalex.org/W4200113990","https://openalex.org/W4200212523","https://openalex.org/W4210511145","https://openalex.org/W4220701544","https://openalex.org/W4220777055","https://openalex.org/W4220987557","https://openalex.org/W4283655353","https://openalex.org/W4283749623","https://openalex.org/W4284886336","https://openalex.org/W4304014077"],"related_works":["https://openalex.org/W3197921374","https://openalex.org/W3181233614","https://openalex.org/W4226019163","https://openalex.org/W4312114516","https://openalex.org/W3161926180","https://openalex.org/W4411823563","https://openalex.org/W3195528664","https://openalex.org/W4377564190","https://openalex.org/W3158136618","https://openalex.org/W4382055407"],"abstract_inverted_index":{"Background:":[0],"Base":[1],"mutations":[2],"increase":[3],"the":[4,9,17,20,49,59,66,71,96,130,133,139,243,251,265,272,277,280,286,290],"contagiousness":[5],"and":[6,11,14,25,36,70,75,89,118,127,144,160,177,189,199,211,215,224,257],"transmissibility":[7],"of":[8,19,61,100,115,129,142,209,253,267,279,289,295],"Delta":[10,119,145,161,212],"Lambda":[12,117,143,159,210],"strains":[13],"lead":[15],"to":[16,57,94,138,241,271,282,299],"severity":[18],"COVID-19":[21],"pandemic.":[22],"Molecular":[23,122],"docking":[24,123,237],"molecular":[26,39,63,85],"dynamics":[27],"(MD)":[28],"simulations":[29,56],"are":[30],"frequently":[31],"used":[32,54,93],"for":[33],"drug":[34],"discovery":[35],"relocation.":[37],"Small":[38],"compounds":[40,64,131,154,194],"from":[41],"Chinese":[42,101],"herbs":[43],"have":[44,227],"an":[45],"inhibitory":[46],"effect":[47],"on":[48,65,106],"virus.":[50,291],"Therefore,":[51],"this":[52,83],"study":[53],"computational":[55],"investigate":[58],"effects":[60],"small":[62],"spike":[67,225],"(S)":[68],"protein":[69,141,206,226,259,274],"binding":[72,136,156,247,266,281],"between":[73],"them":[74],"angiotensin-converting":[76],"enzyme":[77],"2":[78],"(ACE2)":[79],"receptors.":[80],"Methods:":[81],"In":[82,234],"study,":[84],"docking,":[86],"MD":[87,216],"simulation,":[88],"protein-protein":[90,236],"analysis":[91,262],"were":[92,110,163],"explore":[95],"medicinal":[97,103],"target":[98],"inhibition":[99],"herbal":[102],"plant":[104,222,255,269],"chemicals":[105,223,256,270],"SARS-CoV-2.":[107],"12,978":[108],"phytochemicals":[109,298],"screened":[111],"against":[112],"S":[113,140,205,258,273],"proteins":[114],"SARS-CoV-2":[116],"mutants.":[120],"Results:":[121],"showed":[124,219,263],"that":[125,220,264],"65.61%":[126],"65.28%":[128],"had":[132],"relatively":[134],"stable":[135,230],"ability":[137,248,288],"mutants":[146,162],"(docking":[147],"score":[148],"\u2264":[149],"-6).":[150],"The":[151,261],"top":[152],"five":[153],"with":[155,158,204],"energy":[157,229],"clematichinenoside":[164],"AR2":[165],"(-9.7),":[166,182],"atratoglaucoside,b":[167],"(-9.5),":[168,171],"physalin":[169],"b":[170],"atratoglaucoside,":[172],"a":[173,179],"(-9.4),":[174],"Ochnaflavone":[175],"(-9.3)":[176],"neo-przewaquinone":[178],"(-10),":[180],"Wikstrosin":[181],"xilingsaponin":[183],"A":[184],"(-9.6),":[185,188,191],"ardisianoside":[186],"G":[187],"23-epi-26-deoxyactein":[190],"respectively.":[192],"Four":[193],"(Casuarictin,":[195],"Heterophylliin":[196],"D,":[197],"Protohypericin,":[198],"Glansrin":[200],"B)":[201],"could":[202,275],"interact":[203],"mutation":[207],"sites":[208],"mutants,":[213],"respectively,":[214],"simulation":[217],"results":[218],"four":[221,254,268],"good":[228],"complex":[231],"formation":[232,252],"ability.":[233],"addition,":[235],"was":[238],"carried":[239],"out":[240],"evaluate":[242],"changes":[244],"in":[245],"ACE2":[246],"caused":[249],"by":[250],"complexes.":[260],"reduce":[276],"stability":[278],"ACE2,":[283],"thereby":[284],"reducing":[285],"replication":[287],"Conclusion:":[292],"experimental":[293],"validation":[294],"these":[296],"major":[297],"assess":[300],"their":[301],"potential":[302],"anti-SARS-CoV-2.":[303],"Graphical":[304],"abstract.":[305]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":2}],"updated_date":"2026-11-07T11:25:07.637180","created_date":"2023-02-04T00:00:00"}
