MasitinibL shows promise as a drug-like analog of masitinib that elicits comparable SARS-Cov-2 3CLpro inhibition with low kinase preference

OA Durojaye, NO Okoro, AS Odiba, BC Nwanguma - Scientific Reports, 2023 - nature.com
SARS-CoV-2 infection has led to several million deaths worldwide and ravaged the
economies of many countries. Hence, developing therapeutics against SARS-CoV-2 …

Csc01 shows promise as a potential inhibitor of the oncogenic G13D mutant of KRAS: an in silico approach

OA Durojaye, U Ejaz, HO Uzoeto, AA Fadahunsi… - Amino Acids, 2023 - Springer
About 30% of malignant tumors include KRAS mutations, which are frequently required for
the development and maintenance of malignancies. KRAS is now a top-priority cancer target …

Revolutionizing drug discovery: an AI-powered transformation of molecular docking

AA Fadahunsi, HO Uzoeto, NO Okoro… - Medicinal Chemistry …, 2024 - Springer
AI-based molecular docking, a computational technique fueled by artificial intelligence (AI)
algorithms, is transforming the landscape of drug discovery. This method, crucial for …