Molecular screening and dynamics simulation reveal potential phytocompounds in Swertia chirayita targeting the UspA1 protein of Moraxella catarrhalis for COPD therapy.

Authors: Uddin, Md. Moin, Chowdhury, Md. Shydhur Rahman, Hossain, Md. Arju, Ahsan, Asif, Hossain, Md. Tanvir, Barik, Abdul, Hossen, Md. Arif, Amin, Md. Faisal, Abir, Rafsan, Alam, Mohammad Shah, Rahman, Md Habibur, Hoque, M. Nazmul

Source: PLoS ONE; 2/28/2025, Vol. 20 Issue 2, p1-25, 25p

Subject Terms: MOLECULAR dynamics, MORAXELLA catarrhalis, CHRONIC obstructive pulmonary disease, ROOT-mean-squares, PROTEIN-ligand interactions