Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics-Reference-Cited by-同舟云学术

Harnessing allosteric inhibition: prioritizing LIMK2 inhibitors for targeted cancer therapy through pharmacophore-based virtual screening and essential molecular dynamics

Published:2023-12-08 Issue: Volume: Page:1-18
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Rangaswamy Raghu¹,Hemavathy Nagarajan¹,Subramaniyan Sneha¹,Vetrivel Umashankar²,Jeyakanthan Jeyaraman¹

Affiliation:

1. Structural Biology and Bio-Computing Lab, Department of Bioinformatics, Alagappa University, Karaikudi, Tamil Nadu, India

2. Virology & Biotechnology/Bioinformatics Division, ICMR-National Institute for Research in Tuberculosis, Chennai, Tamil Nadu, India

Funder

TANSCHE

Department of Biotechnology-Bioinformatics Centre

DST INDO-TAIWAN

ST-Fund for Improvement of S &T Infrastructure in Universities Higher Educational Institutions

DST-Promotion of University Research and Scientific Excellence

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2291171

Reference52 articles.

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2. LIM Kinases, Promising but Reluctant Therapeutic Targets: Chemistry and Preclinical Validation In Vivo

3. Molecular dynamics with coupling to an external bath

4. Type II Kinase Inhibitors: An Opportunity in Cancer for Rational Design

5. Jaguar: A high‐performance quantum chemistry software program with strengths in life and materials sciences