An integrative computational approach for the identification of dual inhibitors of isocitrate dehydrogenase 1 and 2 from phytocompounds of Phyllantus amarus.

Autor: Bello, Ridwan Opeyemi, Okunlola, Salihaat Toyin, Kumar, Neeraj, Victor, Omoboyede, Jimoh, Tajudeen O., Abdulsalam, Zainab Naeem, Kehinde, Idayat Oyinkansola, Umar, Haruna Isiyaku

Publikováno v: Journal of Biomolecular Structure & Dynamics; Sep2024, Vol. 42 Issue 14, p7272-7288, 17p

The Anti-Leukemic Activities of Campesterol and Α-Tocopherol Against BCL-2 Target through Computational Drug Design Approaches.

Autor: Agbeniyi OT; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria.; Nigerian Institute of Medical Research, Lagos, Nigeria., Kumar N; Department of Pharmaceutical Chemistry, Bhupal Nobles' College of Pharmacy, Udaipur, Rajasthan, India-313001., Kuthi NA; Department of Chemistry, Faculty of Science, Universiti Teknologi Malaysia (UTM), Johor Bahru, Johor, Malaysia., Okunola Y; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria.; Faculty of Basic Medical Sciences, University of Ibadan, P.M.B 5017 G.P.O Ibadan, Oyo State, Nigeria., Akingbade TV; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria.; Faculty of Basic Medical Sciences, University of Ibadan, P.M.B 5017 G.P.O Ibadan, Oyo State, Nigeria., Olowosoke CB; Department of Biochemistry, University of Ibadan, P.M.B 5017 G.P.O Ibadan, Oyo State, Nigeria.; Department of Biotechnology, Federal University of Technology, Akure, Nigeria., Kehinde IO; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria., Victor O; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria.; Institute of Bioinformatics and Molecular Therapeutics (IBMT), Osogbo, Osun state, Nigeria., Umar HI; Computer-Aided Therapeutic Discovery and Design Platform, Federal University of Technology, PMB 704 Akure., Nigeria.; Department of Biochemistry, Federal University of Technology, Akure., Dev Bairagi R; Pharmacy Discipline, School of Life Sciences, Khulna University, Khulna, 9208, Bangladesh., Bin Jardan YA; Department of Pharmaceutics, College of Pharmacy, King Saud University, P.O. Box 11451, Riyadh, Saudi Arabia., Bourhia M; Department of Chemistry and Biochemistry, Faculty of Medicine and Pharmacy, Ibn Zohr University, Laayoune 70000, Morocco.

Publikováno v: Current topics in medicinal chemistry [Curr Top Med Chem] 2024 Oct 11. Date of Electronic Publication: 2024 Oct 11.