Ali A Rabaan, Wadha A Alfouzan, Mohammed Garout, Muhammad A Halwani, Nouf Alotaibi, Mubarak Alfaresi, Nawal A Al Kaabi, Zainab H Almansour, Ahmed S Bueid, Amjad A Yousuf, Hamza M A Eid, Mohammed Alissa
In response to the escalating threat of drug-resistant fungi to human health, there is an urgent need for innovative strategies. Our focus is on addressing this challenge by exploring a previously untapped target, yeast casein kinase (Yck2), as a potential space for antifungal development. To identify promising antifungal candidates, we conducted a thorough screening of the diverse-lib drug-like molecule library, comprising 99,288 molecules. Five notable drug-like compounds with diverse-lib IDs 24334243, 24342416, 17516746, 17407455, and 24360740 were selected based on their binding energy scores surpassing 11 Kcal/mol...
April 18, 2024: Journal of Biomolecular Structure & Dynamics