In silico design of Plasmodium falciparum cysteine protease falcipain 2 inhibitors with favorable pharmacokinetic profile

201810 citationsJournal Articlediamond Open Access

Authors

Yves Kily Hervé Fagnidi · Université Nangui Abrogoua

Beguemsi Toï · Laboratoire de Chimie Organique

Eugène Megnassan · Université Nangui Abrogoua

Vladimı́r Frecer · International Centre for Applied Research and Sustainable Technology

Stanislav Miertuš · International Centre for Applied Research and Sustainable Technology

Abstract

data bank; QSAR, quantitative structure activity relationships; G com , relative gibbs free energy change related to the enzyme-inhibitor complex formation; H MM , relative enthalpic contribution to the Gibbs free energy change derived by molecular mechanics; TS vib , relative entropic

Topics & Keywords

Computational Drug Discovery Methods Malaria Research and Control vaccines and immunoinformatics approaches

UN Sustainable Development Goals

Affordable and clean energy

Publication Details

Published in: Journal of Analytical & Pharmaceutical Research

Volume 7, Issue 3

DOI: 10.15406/japlr.2018.07.00244

Field-Weighted Citation Impact: 1.07