Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors-Reference-Cited by-同舟云学术

Virtual screening, structure based pharmacophore mapping, and molecular simulation studies of pyrido[2,3-d]pyrimidines as selective thymidylate synthase inhibitors

Published:2023-05-08 Issue:23 Volume:41 Page:14197-14211
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Kumar Adarsh¹,Novak Jurica²³⁴^ORCID,Singh Ankit Kumar¹,Singh Harshwardhan¹,Thareja Suresh¹^ORCID,Pathak Prateek⁵^ORCID,Grishina Maria⁵^ORCID,Verma Amita⁶^ORCID,Kumar Pradeep¹

Affiliation:

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

2. Department of Biotechnology, University of Rijeka, Rijeka, Croatia

3. Center for Artificial Intelligence and Cyber security, University of Rijeka, Rijeka, Croatia

4. Scientific and Educational Center ‘Biomedical Technologies’ School of Medical Biology, South Ural State University, Chelyabinsk, Russia

5. Laboratory of Computational Modeling of Drugs, Higher Medical and Biological School, South Ural State University, Chelyabinsk, Russia

6. Bioorganic and Medicinal Chemistry Research Laboratory, Department of Pharmaceutical Sciences, Sam Higginbottom University of Agriculture Technology and Sciences, Prayagraj, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2208205

Reference61 articles.

1. Synthesis of novel 7-aryl and 7-spiropyrazolo[4′,3′:5,6]pyrido[2,3-d]pyrimidine derivatives and their study as AChE inhibitors

2. Acquired resistance to 5-fluorouracilviaHSP90/Src-mediated increase in thymidylate synthase expression in colon cancer

3. Rattle: A “velocity” version of the shake algorithm for molecular dynamics calculations

4. Thymidylate synthase inhibition triggers apoptosis via caspases-8 and -9 in both wild-type and mutant p53 colon cancer cell lines

5. Screening of phytoconstituents of Andrographis paniculata against various targets of Japanese encephalitis virus: An in-silico and in-vitro target-based approach

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