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Integrated Virtual Screening for Anti-Caries Compounds from Neem: Dual-Target Inhibition of Biofilm Formation and Bacterial DNA Replication.

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Title: Integrated Virtual Screening for Anti-Caries Compounds from Neem: Dual-Target Inhibition of Biofilm Formation and Bacterial DNA Replication.
Authors: Agboola OE; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Damsem Scientific Laboratory and Research, Ado-Ekiti 360001, Nigeria., Agboola O; Dental Clinic Unit, Babcock University Teaching Hospital, Ilishan-Remo 121103, Nigeria., Ayinla ZA; Department of Biology, University of Waterloo, Waterloo, ON M5V 3L9, Canada., Agboola SS; Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, Ado-Ekiti 360001, Nigeria., Olaiya OE; Department of Medical Biochemistry, College of Medicine and Health Sciences, Afe Babalola University, Ado-Ekiti 360001, Nigeria., Oyinloye OM; Department of Biological Sciences, College of Sciences, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria., Fajana OM; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria., Idowu OT; Industrial Chemistry Unit, Department of Chemical Sciences, College of Sciences, Afe Babalola University, Ado-Ekiti 360001, Nigeria., Omotuyi OI; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, Ado-Ekiti 360001, Nigeria., Ilesanmi OS; Department of Chemical Sciences, Achievers University, Owo 341101, Nigeria., Oyinloye BE; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Biotechnology and Structural Biology (BSB) Group, Department of Biochemistry and Microbiology, University of Zululand, KwaDlangezwa 3886, South Africa.; Phytomedicine, Biochemical Toxicology and Biotechnology Research Laboratories, Department of Biochemistry, College of Sciences, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.
Source: Biomedicines [Biomedicines] 2025 Sep 08; Vol. 13 (9). Date of Electronic Publication: 2025 Sep 08.
Publication Type: Journal Article
Journal Info: Publisher: MDPI AG Country of Publication: Switzerland NLM ID: 101691304 Publication Model: Electronic Cited Medium: Print ISSN: 2227-9059 (Print) Linking ISSN: 22279059 NLM ISO Abbreviation: Biomedicines Subsets: PubMed not MEDLINE
Database: MEDLINE Ultimate
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  Data: Integrated Virtual Screening for Anti-Caries Compounds from Neem: Dual-Target Inhibition of Biofilm Formation and Bacterial DNA Replication.
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  Data: <searchLink fieldCode="AU" term="%22Agboola+OE%22">Agboola OE</searchLink>; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Damsem Scientific Laboratory and Research, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Agboola+O%22">Agboola O</searchLink>; Dental Clinic Unit, Babcock University Teaching Hospital, Ilishan-Remo 121103, Nigeria.<br /><searchLink fieldCode="AU" term="%22Ayinla+ZA%22">Ayinla ZA</searchLink>; Department of Biology, University of Waterloo, Waterloo, ON M5V 3L9, Canada.<br /><searchLink fieldCode="AU" term="%22Agboola+SS%22">Agboola SS</searchLink>; Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Olaiya+OE%22">Olaiya OE</searchLink>; Department of Medical Biochemistry, College of Medicine and Health Sciences, Afe Babalola University, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Oyinloye+OM%22">Oyinloye OM</searchLink>; Department of Biological Sciences, College of Sciences, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Fajana+OM%22">Fajana OM</searchLink>; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Idowu+OT%22">Idowu OT</searchLink>; Industrial Chemistry Unit, Department of Chemical Sciences, College of Sciences, Afe Babalola University, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Omotuyi+OI%22">Omotuyi OI</searchLink>; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Department of Pharmacology and Toxicology, College of Pharmacy, Afe Babalola University, Ado-Ekiti 360001, Nigeria.<br /><searchLink fieldCode="AU" term="%22Ilesanmi+OS%22">Ilesanmi OS</searchLink>; Department of Chemical Sciences, Achievers University, Owo 341101, Nigeria.<br /><searchLink fieldCode="AU" term="%22Oyinloye+BE%22">Oyinloye BE</searchLink>; Institute for Drug Research and Development, Bogoro Research Centre, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.; Biotechnology and Structural Biology (BSB) Group, Department of Biochemistry and Microbiology, University of Zululand, KwaDlangezwa 3886, South Africa.; Phytomedicine, Biochemical Toxicology and Biotechnology Research Laboratories, Department of Biochemistry, College of Sciences, Afe Babalola University, P.M.B 5454, Ado-Ekiti 360001, Nigeria.
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  Data: <searchLink fieldCode="JN" term="%22101691304%22">Biomedicines</searchLink> [Biomedicines] 2025 Sep 08; Vol. 13 (9). <i>Date of Electronic Publication: </i>2025 Sep 08.
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              Text: 2025 Sep 08
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