Title: Molecular docking, simulation and binding free energy analysis of small molecules as PfHT1 inhibitors
Afolabi J. Owoloye1,2,3, Funmilayo C. Ligali3,4, Ojochenemi A. Enejoh5, Adesola Z. Musa3, Oluwagbemiga O. Aina3, Emmanuel T. Idowu2, and Kolapo M. Oyebola1,3
1 Centre for Genomic Research in Biomedicine (CeGRIB), College of Basic and Applied Sciences, Mountain Top University, Ogun, Nigeria
2 Parasitology and Bioinformatics Unit, Department of Zoology, Faculty of Science, University of Lagos, Lagos, Nigeria.
3 Nigerian Institute of Medical Research, Lagos, Nigeria
4 Biochemistry Department, Faculty of Basic Medical Science, University of Lagos, Lagos, Nigeria
5 Genetics, Genomics and Bioinformatics Department, National Biotechnology Development Agency, Abuja, Nigeria