In silico pharmacology

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Allosteric activation of AMPK ADaM's site by structural analogs of Epigallocatechin and Galegine: computational molecular modeling investigation.

Pub Date : 2025-01-30 DOI: 10.1007/s40203-025-00311-x Mohnad Abdalla, Abdeen Tunde Ogunlana, Modinat Wuraola Akinboade, Ridwan Olajire Muraina, Oyindamola Anthonia Adeosun, Onyekachi Juliet Okpasuo, Olamide Tosin Olaoba, Abdulaziz Alouffi, Aqel Albutti, Zeyad Kurdee, Nouf Omar AlAfaleq, Ajibola Hannah Fatoberu, Temitope Isaac Adelus

From phytomedicine to conventional drug research, to look for new drug molecule against monkey pox virus; a molecular docking, virtual screening and ADME analysis.

Pub Date : 2025-01-30 DOI: 10.1007/s40203-025-00310-y Pritam Goswami, Emmanuel Gabriel Fakola, Sayak Ghosh, Shubhamoy Ghosh, Satadal Das

Investigation of Aframomum melegueta compounds as ERK5 inhibitor related to breast cancer via molecular docking and dynamic simulation.

Pub Date : 2025-01-25 DOI: 10.1007/s40203-025-00304-w Paul Olamide Ottu, Olorunfemi Oyewole Babalola, Cecilia Oluwamodupe, Ayodeji Folasade Oluwatobiloba, Idayat Oyinkansola Kehinde, Olufemi Adebisi Akinola, Sulyman Olalekan Ibrahim, Olusola Olalekan Elekofehinti

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