Identification of 1,3,4-oxadiazoles as tubulin-targeted anticancer agents: a combined field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, molecular dynamics simulation, and density functional theory calculation approach-Reference-Cited by-同舟云学术

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Identification of 1,3,4-oxadiazoles as tubulin-targeted anticancer agents: a combined field-based 3D-QSAR, pharmacophore model-based virtual screening, molecular docking, molecular dynamics simulation, and density functional theory calculation approach

Published:2023-09-11 Issue: Volume: Page:1-19
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Das Agnidipta¹,Sarangi Manaswini¹,Jangid Kailash²,Kumar Vijay²,Kumar Amit¹,Singh Praval Pratap³,Kaur Kamalpreet¹,Kumar Vinod²^ORCID,Chakraborty Sudip³,Jaitak Vikas¹

Affiliation:

1. Department of Pharmaceutical Sciences and Natural Products, Central University of Punjab, Bathinda, India

2. Department of Chemistry, Central University of Punjab, Bathinda, India

3. Department of Computational Sciences, School of Basic Sciences, Central University of Punjab, Bathinda, India

Funder

UGC

University Grant Commission

ICMR

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2256876

Reference61 articles.

1. 1,3,4-oxadiazole-2-thione Derivatives; Novel Approach for Anticancer and Tubulin Polymerization Inhibitory Activities

2. Rationale Design, Synthesis, Cytotoxicity Evaluation, and Molecular Docking Studies of 1,3,4-oxadiazole Analogues

3. Antiproliferative effect, cell cycle arrest and apoptosis generation of novel synthesized anticancer heterocyclic derivatives based 4H-benzo[h]chromene

4. Recent advancements of coumarin-based anticancer agents: An up-to-date review

5. Isoxazole derivatives as anticancer agent: A review on synthetic strategies, mechanism of action and SAR studies

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