![]() ![]() Four (CID5281643, CID5490064, CID5213, and CID5481542) of the identified compounds were found to be stable within the PfHT1 binding pocket throughout the 100 nanoseconds simulation run time. The MMGBSA analysis of the complexes yielded high free binding energies. The compounds formed intermolecular interaction with the binding pocket of the PfHT1 target via conserved amino acid residues (Val314, Gly183, Thr49, Asn52, Gly183, Ser315, Ser317, and Asn48). Five important PfHT1 inhibitors were identified: Hyperoside (CID5281643) avicularin (CID5490064) sylibin (CID5213) harpagoside (CID5481542) and quercetagetin (CID5281680). Molecular docking and free binding energy analyses were carried out using Molecular Mechanics with Generalized Born and Surface Area (MMGBSA) solvation to determine the selectivity of the hit compounds for PfHT1 over the human glucose transporter (hGLUT1) orthologue. We also investigated the pharmacodynamic, pharmacokinetic and physiological characteristics of the compounds in accordance with Lipinksi rules for drug-likeness to bind and inhibit PfHT1. The stability of the lead compound complexes was evaluated via molecular dynamics (MD) simulation for 100 nanoseconds. We performed high throughput virtual screening of 21,352 small-molecule compounds against PfHT1. In this study, we tested the antimalarial activity of some compounds against PfHT1 using computational techniques. falciparum hexose transporter 1 ( PfHT1) protein involved in hexose permeation is considered a potential drug target. Plasmodium falciparum requires host glucose for survival and proliferation. New drugs are required for ancillary support of existing malaria control efforts. Video messaging on Android Wear is changing the way we communicate on the go.Antimalarial drug resistance has thrown a spanner in the works of malaria elimination. Get Glides directly to your wrist! Watch live videos, respond with texts, emojis, and even live voice recordings. Cool filters make your video messages look awesome.Snap a photo in real time or uploaded from your device.Share videos with friends and family from everywhere to anywhere with a tap!.Review your videos before sending, or tap to stream live - whichever fits you best.Now you and your friends/family can share real moments as they happen, and enjoy quality facetime. ![]() It combines the convenience of texting with the expressiveness of video chat. Glide is the fastest live video messenger app on the planet. ![]()
0 Comments
Leave a Reply. |
AuthorWrite something about yourself. No need to be fancy, just an overview. ArchivesCategories |