N-(pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an in silico investigative approach

Q: What type of study is this?

This is a In Silico Study study.

Muhammad Shafiq; M. Nasim; Dmitry Nerukh; Mohammad Nur‐e‐Alam; Zaheer Ul‐Haq

doi:10.1039/d5cp01607j

January 1, 2025Physical Chemistry Chemical Physics

N-(pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an in silico investigative approach

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Key Points

The NPPA analogues demonstrated significant inhibitory effects on cdk2, enhancing protein stability.
Investigative results indicated that these inhibitors interact favorably with the cdk2 binding site during analysis.
An integrated in silico approach was employed to explore the mechanisms behind the inhibitory potencies of the analogues.
These findings highlight the potential of NPPA analogues as effective cdk2 inhibitors with promising therapeutic applications.

Implication

In silico analysis reveals the inhibitory potencies of NPPA analogues on CDK2, suggesting enhanced protein stability.

Abstract

Exploring the factors underlying the CDK2 inhibitory potencies of the NPPA analogues via an integrated in silico approach. These CDK2 inhibitors have shown favorable inhibitory interactions and enhance the stability of protein in an inactive state.

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Cite This Study

Shafiq et al. (2025) studied this question.

synapsesocial.com/papers/68c1c9dd54b1d3bfb60f2fa4 https://doi.org/10.1039/d5cp01607j

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N-(pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an in silico investigative approach

Key Points

Implication

Abstract

Discussion

Cite This Study

N-(pyridin-3-yl)pyrimidin-4-amine analogues as potent CDK2 inhibitors: an in silico investigative approach

Key Points

Implication

Abstract

Discussion

Cite This Study

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