Potent inhibitors targeting cyclin-dependent kinase 9 discovered


Journal

Physical chemistry chemical physics : PCCP
ISSN: 1463-9084
Titre abrégé: Phys Chem Chem Phys
Pays: England
ID NLM: 100888160

Informations de publication

Date de publication:
25 Jan 2024
Historique:
medline: 25 1 2024
pubmed: 25 1 2024
entrez: 25 1 2024
Statut: aheadofprint

Résumé

Due to the crucial regulatory mechanism of cyclin-dependent kinase 9 (CDK9) in mRNA transcription, the development of kinase inhibitors targeting CDK9 holds promise as a potential treatment strategy for cancer. A structure-based virtual screening approach has been employed for the discovery of potential novel CDK9 inhibitors. First, compounds with kinase inhibitor characteristics were identified from the ZINC15 database

Identifiants

pubmed: 38269624
doi: 10.1039/d3cp05582e
doi:

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Auteurs

Shipeng Wang (S)

School of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620, China. fjliu@sues.edu.cn.

Fengjiao Liu (F)

School of Chemistry and Chemical Engineering, Shanghai University of Engineering Science, Shanghai 201620, China. fjliu@sues.edu.cn.

Pengfei Li (P)

Single Particle, LLC, 10531 4S Commons Dr 166-629, San Diego, CA 92127, USA.

Jia-Ning Wang (JN)

State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.

Yan Mo (Y)

State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.
NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China.
Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, China.

Bin Lin (B)

Wuya College of Innovation, Shenyang Pharmaceutical University, Shenyang 110016, China. randybinlin@gmail.com.

Ye Mei (Y)

State Key Laboratory of Precision Spectroscopy, School of Physics and Electronic Science, East China Normal University, Shanghai 200241, China.
NYU-ECNU Center for Computational Chemistry at NYU Shanghai, Shanghai 200062, China.
Collaborative Innovation Center of Extreme Optics, Shanxi University, Taiyuan, Shanxi 030006, China.

Classifications MeSH