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Imren Bayil

As seen in: Wiley Online Library
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Articles

Assessment of Annona muricata Phytochemicals as 17β‐HSD1 Inhibitors through Molecular Docking, Dynamics Simulation, DFT, and ADMET Analyses

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By Emad Sindi, Guilherme Alves, Imren Bayil, Samson Afolabi
| Wiley Online Library Verified
17β-HSD1 17β-Hydroxysteroid Dehydrogenase Type 1 ADMET absorption, distribution, metabolism, excretion and toxicity ADT AutoDock tools ALA Alanine ARG Arginine BBB blood–brain barrier CHARMM chemistry at harvard macromolecular mechanics CYP450 Cytochrome P450 DCCM dynamic cross-correlation matrix DFT density functional theory DILI drug-induced liver injury EEEL (ΔEEEL) electrostatic energy (MM-PBSA term) EVDW (ΔEVDW) van der Waals energy (MM-PBSA term) GLY Glycine HADDOCK high ambiguity...
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Antimalarial drug discovery against malaria parasites through haplopine modification: An advanced computational approach

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By Shopnil Akash, Dhaka Bangladesh, Guendouzi Abdelkrim, Imren Bayil
| Wiley Online Library Verified
1 INTRODUCTION Malaria is a lethal disease that can occasionally be deadly, and it is transmitted by a parasite that typically infects certain types of mosquitos that bites on people. Currently, about half of the world's population is at risk of life-threatening infectious malaria disease caused by protozoa of the genus Plasmodium that spread by the bite of the female mosquito named Anopheles.1, 2 There are five species of Plasmodium namely P. vivax, P. malariae P. falciparum, P.
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