Multi-dimensional structural footprint identification for the design of potential scaffolds targeting METTL3 in cancer treatment from natural compounds.

Autor: Issahaku AR; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.; West African Centre for Computational Research and Innovation, West Africa, Ghana., Mncube SM; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa., Agoni C; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.; West African Centre for Computational Research and Innovation, West Africa, Ghana., Kwofie SK; West African Centre for Cell Biology of Infectious Pathogens, Department of Biochemistry, Cell and Molecular Biology, College of Basic and Applied Sciences, University of Ghana, LG54, Accra, Ghana., Alahmdi MI; Department of Chemistry, Faculty of Science, University of Tabuk, Tabuk, 7149, Saudi Arabia., Abo-Dya NE; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tabuk University, Tabuk, 71491, Saudi Arabia.; Department of Pharmaceutical Organic Chemistry, Faculty of Pharmacy, Zagazig University, Zagazig, Egypt., Sidhom PA; Department of Pharmaceutical Chemistry, Faculty of Pharmacy, Tanta University, Tanta, 31527, Egypt., Tawfeek AM; Chemistry Department, College of Science, King Saud University, Riyadh, 11451, Saudi Arabia., Ibrahim MAA; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.; Computational Chemistry Laboratory, Chemistry Department, Faculty of Science, Minia University, Minia, 61519, Egypt., Mukelabai N; Department of Physiotherapy School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa., Soremekun O; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa.; Department of Epidemiology and Biostatistics, School of Public Health, Imperial College London, London, England., Soliman MES; Molecular Bio-Computation and Drug Design Lab, School of Health Sciences, University of KwaZulu-Natal, Westville Campus, Durban, 4001, South Africa. soliman@ukzn.ac.za.

Publikováno v: Journal of molecular modeling [J Mol Model] 2023 Mar 30; Vol. 29 (4), pp. 122. Date of Electronic Publication: 2023 Mar 30.