Identification of promising small-molecule inhibitors targeting STK17B for cancer therapeutics: molecular docking and molecular dynamics investigations.

Autor: Akinboade MW; Department of Biochemistry, Ladoke Akintola University of Technology, Ogbomosho, Oyo State, Nigeria., Egbemhenghe AU; Department of Chemistry and Biochemistry, Texas Technology University, Lubbock, TX, USA., Abdulkareem TO; Department of Biochemistry, Lagos State University, Lagos, Nigeria., Ibrahim IA; Department of Physiology, Lagos State University, Lagos, Nigeria., Omotara BS; Department of Chemistry and Chemical Engineering, University of New Haven, West Haven, CT, USA., Aderemi OE; Department of Chemistry and Chemical Engineering, University of New Haven, West Haven, CT, USA., Egejuru WA; Department of Public Health, University of New Haven, West Haven, CT, USA., Ajala CF; Department of Public Health, University of New Haven, West Haven, CT, USA., Meejay Kanu I; Department of Epidemiology and Biotatistics, Jackson State University, Jackson, MS, USA., Oluwafemi OO; Department of Public Health, University of New Haven, West Haven, CT, USA., Aderemi CO; Department of Public Health, University of New Haven, West Haven, CT, USA., Ddamulira C; Department of Biomedical Engineering, University of New Haven, West Haven, CT, USA., Afuape AR; Department of Biochemistry, University of Lagos, Lagos, Nigeria., Adekola AT; Department of Public Health, University of New Haven, West Haven, CT, USA., Ojeyemi T; Department of Environmental Toxicology, Texas Tech University, Lubbock, TX, USA., Otuomagie OI; Department of Environmental Science, University of New Haven, West Haven, CT, USA.

Publikováno v: Journal of biomolecular structure & dynamics [J Biomol Struct Dyn] 2023 Dec 26, pp. 1-8. Date of Electronic Publication: 2023 Dec 26.