Identification of Potential Phytochemicals Against Cyclin-Dependent Kinase 1 and Cyclin-Dependent Kinase 2: A Molecular Docking and Molecular Dynamic Approach

被引：2

作者：

Pawar, Swaranjali ^{[1
]}

Shinde, Shalini ^{[1
]}

Chavan, Pooja ^{[1
]}

Rathod, S. ^{[1
]}

Choudhari, P. ^{[1
]}

Arvindekar, Snehal ^{[1
]}

Patil, S. ^{[2
]}

机构：

[1] Bharati Vidyapeeth Coll Pharm, Dept Pharmaceut Chem, Kolhapur 416013, Maharashtra, India

[2] Dr Shivajirao Kadam Coll Pharm, Dept Pharmacol, Sangli 416305, Maharashtra, India

来源：

INDIAN JOURNAL OF PHARMACEUTICAL SCIENCES | 2024年 / 86卷 / 01期

关键词：

Cancer; cyclin-dependent kinases 1; cyclin-dependent kinases 2; computational; molecular docking; molecular dynamics; CDK2; INHIBITORS; CANCER;

D O I：

10.36468/pharmaceutical-sciences.1281

中图分类号：

R9 [药学];

学科分类号：

1007 ;

摘要：

Cancer is one of the leading causes of mortality worldwide and researchers are working to find new ways to cure it. Cancer is a disease characterized by abnormal cell development with the ability to invade and spread to other sections of the body. Breast cancers, colon cancers, lung cancers, liver cancers, rectum cancers, and stomach cancers are the most common cancers over the globe. Cyclin-dependent kinases are one of the causes of cancer and they are protein kinases. Cyclin-dependent kinases play important roles in controlling cell division in cancer cells. This study aims to find potential cyclin-dependent kinases 1 and cyclin-dependent kinases 2 inhibitors. Several phytochemicals were subjected to molecular docking against cyclin-dependent kinases 1 and cyclin-dependent kinases 2 and phytochemicals having good binding affinity were subjected to molecular dynamic simulation to determine the stability of protein-ligand complexes.

引用

页码：322 / 329

页数：8

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