In silico pharmacology

Investigating the antibacterial potential of thiophene derivatives against wound infections: a combined DFT, molecular docking, and ADMET study targeting Staphylococcus aureus, Pseudomonas aeruginosa, and Escherichia coli resistant genes.

Pub Date : 2024-11-20 DOI: 10.1007/s40203-024-00279-0 Mathias O Ajaba, Bassey E Agbo, Nse Umoh, Ekaette S Udoh, Alpha O Gulack, Andrew Ushie, Friday O Izachi, Bethel C Ateb

Bioactive compounds from fermented Vernonia amygdalina leaf: Potent antibiotics against multidrug-resistant Escherichia coli and Salmonella typhi.

Pub Date : 2024-11-19 DOI: 10.1007/s40203-024-00277-2 Adeleke Kazeem Atunnise, Ibukun Temitope Sossou, Peace Sekani Peters, Solomon Damilare Ajayi, Dumebi Anthony Elechukwu, TiOluwani Bamdele Salau, Olusegun Lateef Adebayo, Bamidele Adewale Salau

In-silico studies on evaluating the liver-protective effectiveness of a polyherbal formulation in preventing hepatocellular carcinoma progression.

Pub Date : 2024-11-19 DOI: 10.1007/s40203-024-00285-2 Haritha Kalath, Riya Vishwakarma, Bhavya Banjan, Krishnapriya Ramakrishnan, Abel John Koshy, Rajesh Raju, Niyas Rehman, Amjesh Revikumar