İmren Bayıl

Novel computational and drug design strategies for inhibition of human papillomavirus-associated cervical cancer and DNA polymerase theta receptor by Apigenin derivatives

Shopnil Akash, İmren Bayıl, Md. Saddam Hossain et al. · Scientific Reports · 2023 · 73 citations · Full text

A drug design strategy based on molecular docking and molecular dynamics simulations applied to development of inhibitor against triple-negative breast cancer by Scutellarein derivatives

Shopnil Akash, Farjana Islam Aovi, AK Azad et al. · PLoS ONE · 2023 · 44 citations · Full text

Drug Target, Drug Design Strategy, Medicinal Chemistry +16

Target specific inhibition of West Nile virus envelope glycoprotein and methyltransferase using phytocompounds: an in silico strategy leveraging molecular docking and dynamics simulation

Shopnil Akash, İmren Bayıl, Md. Anisur Rahman et al. · Frontiers in Microbiology · 2023 · 33 citations · Full text

DFT, ADMET, molecular docking and molecular dynamics studies of pyridoxal

Nadezhda A. Garkusha, Oksana P. Anikeeva, İmren Bayıl et al. · Journal of the Indian Chemical Society · 2023 · 32 citations · Full text

Engineering, Biochemistry, Medicine +8

Mechanistic inhibition of gastric cancer-associated bacteria Helicobacter pylori by selected phytocompounds: A new cutting-edge computational approach

Shopnil Akash, İmren Bayıl, Sajjat Mahmood et al. · Heliyon · 2023 · 27 citations · Full text