In silico pharmacology

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In silico pharmacology - 最新文献

Antiproliferative activity of Xylopia aethiopica extracts and molecular docking studies of their main phytochemicals.

Pub Date : 2026-04-28 DOI: 10.1007/s40203-026-00633-4 T T Alawode, E O Odokwo, M Leoma, O O Oderinlo, G R Nyemba, C Davison, M P Ngoepe, J A de la Mare, T Tshiwawa

Screening of NPASS library to uncover potential Dipeptidyl peptidase-IV enzyme inhibitors using structure-based virtual screening and molecular dynamics.

Pub Date : 2026-04-28 DOI: 10.1007/s40203-026-00629-0 Surendra Kumar Gautam, Kailash Jangid, Bharti Devi, Nikita Kumari

Linamarin and its analogues as targeted therapeutic agents in cervical cancer: insights from atomistic molecular docking, dynamics and MMPBSA calculations.

Pub Date : 2026-04-28 DOI: 10.1007/s40203-026-00619-2 Halima Kawia, James Mgaya, Lucas Paul

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