Related Experiment Video

Updated: Jun 6, 2026

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors
10:33

Development of Inhibitors of Protein-protein Interactions through REPLACE: Application to the Design and Development Non-ATP Competitive CDK Inhibitors

Published on: October 26, 2015

Identification of novel selective antagonists for cyclin C by homology modeling and virtual screening

P Sarita Rajender1, M Vasavi, Uma Vuruputuri

  • 1Department of Chemistry, Nizam College, Basheerbagh, Hyderabad 500001, Andhra Pradesh, India.

International Journal of Biological Macromolecules
|December 9, 2010
PubMed

Insights

Researchers identified potential new anti-cancer drugs by modeling cyclin C, a key cell cycle protein. Virtual screening of compounds revealed promising inhibitors for further development against cancer.

Area of Science:

  • Biochemistry
  • Molecular Biology
  • Drug Discovery

Background:

  • Cancer presents a global challenge due to multidrug resistance, necessitating novel therapeutic agents.
  • The CDK8/cyclin C pathway is crucial in regulating cell cycle progression (G0/G1/S phases).
  • Cyclin C is recognized as a promising molecular target for anti-cancer drug development.

Purpose of the Study:

  • To investigate the ligand binding mechanisms and interactions with cyclin C.
  • To identify potential inhibitors of cyclin C through virtual screening.
  • To discover novel lead molecules for anti-cancer drug development.

Main Methods:

  • Generation of a 3D homology model for cyclin C.
  • Analysis of the cyclin C binding groove for potential inhibitor interactions.
  • Virtual screening of the ChemBank library for candidate molecules.
  • Prioritization based on docking scores and ADMET properties.

Main Results:

  • A 3D model of cyclin C was successfully generated, enabling binding site analysis.
  • Virtual screening identified several molecules with potential to inhibit cyclin C.
  • Selected compounds exhibited favorable docking scores and predicted ADMET properties.

Conclusions:

  • Cyclin C is a viable anti-cancer target.
  • Virtual screening and computational modeling are effective in identifying potential cyclin C inhibitors.
  • Prioritized lead molecules warrant further investigation as novel anti-cancer therapeutics.

More Related Videos

Identification of Cyclin-dependent Kinase 1 Specific Phosphorylation Sites by an In Vitro Kinase Assay12:26

Identification of Cyclin-dependent Kinase 1 Specific Phosphorylation Sites by an In Vitro Kinase Assay

Published on: May 3, 2018

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English14:34

A Bilingual Computational Workflow for Identifying Potential PLK1 Inhibitors in American Sign Language and English

Published on: April 3, 2026

Related Concept Videos

Inhibition of Cdk Activity02:34

Inhibition of Cdk Activity

The orderly progression of the cell cycle depends on the activation of Cdk protein by binding to its cyclin partner. However, the cell cycle must be restricted when undergoing abnormal changes. Most cancers correlate to the deregulated cell cycle, and since Cdks are a central component of the cell cycle, Cdk inhibitors are extensively studied to develop anticancer agents. For instance, cyclin D associates with several Cdks, such as Cdk 4/6, to form an active complex. The cyclin D-Cdk4/6 complex...
Inhibition of CDK Activity02:34

Inhibition of CDK Activity

The orderly progression of the cell cycle depends on the activation of Cdk protein by binding to its cyclin partner. However, the cell cycle must be restricted when undergoing abnormal changes. Most cancers correlate to the deregulated cell cycle, and since Cdks are a central component of the cell cycle, Cdk inhibitors are extensively studied to develop anticancer agents. For instance, cyclin D associates with several Cdks, such as Cdk 4/6, to form an active complex. The cyclin D-Cdk4/6 complex...
M-Cdk Drives Transition Into Mitosis02:15

M-Cdk Drives Transition Into Mitosis

Checkpoints throughout the cell cycle serve as safeguards and gatekeepers, allowing the cell cycle to progress in favorable conditions and slow or halt it in problematic ones. This regulation is known as the cell cycle control system.
Cyclin-dependent kinases, or Cdks, work in concert with cyclins to control cell cycle transitions. M-Cdk, a complex of Cdk1 bound to M cyclin, is a well-known example of this coordinated control that drives the transition from the G2 to the M phase.
M cyclin...
Positive Regulator Molecules02:39

Positive Regulator Molecules

Mitotic cell division results in daughter cells that exactly resemble the parent cell. However, errors in the DNA replication or distribution of genetic material may lead to genetic mutations that may be passed down to every new cell formed from the resulting abnormal cell. Propagation of such mutant cells is restricted through checkpoint mechanisms present at different stages of the cell cycle. These checkpoints involve regulator molecules that either promote or demote cell cycle events.