3D-QSAR, docking and molecular dynamics simulations of novel Pyrazolo-pyridazinone derivatives as covalent inhibitors of FGFR1: a scientific approach for possible anticancer agents.
Hamza S, Abid A, Khanum A, Chohan TA, Saleem H, Maqbool Khan K, Khurshid U, Butt J, Anwar S, Alafnan A, Ansari SA, Qayyum A, Raza A, Chohan TA.
Hamza S, et al.
J Biomol Struct Dyn. 2024 Mar;42(5):2242-2256. doi: 10.1080/07391102.2023.2212306. Epub 2023 May 22.
J Biomol Struct Dyn. 2024.
PMID: 37211823
Developing highly potent covalent inhibitors of Fibroblast growth factor receptors 1 (FGFR1) has always been a challenging task. In the current study, various computational techniques, such as 3D-QSAR, covalent docking, fingerprinting analysis, MD simulation followed by MM …
Developing highly potent covalent inhibitors of Fibroblast growth factor receptors 1 (FGFR1) has always been a challenging task. In t …