A virtual screening investigation to identify bioactive natural compounds as potential inhibitors of cyclin-dependent kinase 9.
Atiya A, Shahidi H, Mohammad T, Sharaf SE, Abdulmonem WA, Ashraf GM, Elasbali AM, Alharethi SH, Alhumaydhi FA, Baeesa SS, Rehan M, Shamsi A, Shahwan M.
Atiya A, et al.
J Biomol Struct Dyn. 2023 Nov;41(19):10202-10213. doi: 10.1080/07391102.2022.2153921. Epub 2022 Dec 23.
J Biomol Struct Dyn. 2023.
PMID: 36562191
This screening resulted in the identification of two natural compounds, Glabrene and Guggulsterone with high affinity and specificity for the CDK9 binding site. ...Further, the dynamics and consistency of CDK9 interaction with Glabrene and Guggulsteron were evaluate …
This screening resulted in the identification of two natural compounds, Glabrene and Guggulsterone with high affinity and specificity …