Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies-Reference-Cited by-同舟云学术

Novel pyrimidines as COX-2 selective inhibitors: synthesis, DFT analysis, molecular docking and dynamic simulation studies

Published:2023-04-27 Issue: Volume: Page:1-14
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Mathada Basavarajaiah Suliphuldevara¹^ORCID,Basha N. Jeelan²^ORCID,Javeed Mohammad³^ORCID,Karunakar Prashantha⁴,Venkatesulu Adavala⁵,Erappa Krishnakanth⁵,Varsha A.⁶

Affiliation:

1. Organic Chemistry Research Lab, P.G. Department of Chemistry, Vijaya College, Bengaluru, Karnataka, India

2. Department of Chemistry, Indian Academy Degree College-Autonomous, Bengaluru, Karnataka, India

3. P. G. Department and Research Studies in Chemistry, Nrupatunga University, Bengaluru, Karnataka, India

4. Department of Biotechnology, Dayananda Sagar College of Engineering, Bengaluru, Karnataka, India

5. Department of Post Graduate Studies & Research Centre in Physics, Govt. First Grade College, Hoskote, Karnataka, India

6. Department of Biotechnology, PES University, Bengaluru, Karnataka, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2023.2202248

Reference64 articles.

1. Synthesis, anti-proliferative activity, gene expression, docking and DFT investigation of novel pyrazol-1-yl-thiazol-4(5H)-one derivatives

2. Synthesis, characterization, DFT, antioxidant, antibacterial, pharmacokinetics and inhibition of SARS-CoV-2 main protease of some heterocyclic hydrazones

3. Celecoxib, Glipizide, Lapatinib, and Sitagliptin as potential suspects of aggravating SARS-CoV-2 (COVID-19) infection: a computational approach

4. Design and synthesis of pyrimidine-5-carbonitrile hybrids as COX-2 inhibitors: Anti-inflammatory activity, ulcerogenic liability, histopathological and docking studies

5. HIV nucleoside reverse transcriptase inhibitors

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