De novo drug designing coupled with brute force screening and structure guided lead optimization gives highly specific inhibitor of METTL3: a potential cure for Acute Myeloid Leukaemia
Manisha Ganguly, Radhika Gupta, Amlan Roychowdhury, Ditipriya Hazra
The paper designs and optimizes Y-shaped inhibitors of METTL3 using de novo methods and brute force screening, achieving high selectivity and binding affinity for potential cancer treatment.
Journal of Biomolecular Structure and Dynamics · Dec 9, 2023Peer-reviewedBioinformatics