In-silico identification of fingerprint of pyrazolyl sulfonamide responsible for inhibition of N-myristoyltransferase using Monte Carlo method with index of ideality of correlation-Reference-Cited by-同舟云学术

In-silico identification of fingerprint of pyrazolyl sulfonamide responsible for inhibition of N-myristoyltransferase using Monte Carlo method with index of ideality of correlation

Published:2020-06-24 Issue:14 Volume:39 Page:5014-5025
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Kumar Ashwani¹,Sindhu Jayant²,Kumar Parvin³^ORCID

Affiliation:

1. Department of Pharmaceutical Sciences, Guru Jambeshwar University of Science and Technology, Hisar, Haryana, India

2. Department of Chemistry, COBS&H, CCS Haryana Agricultural University, Hisar, Haryana, India

3. Department of Chemistry, Kurukshetra University, Kurukshetra, Haryana, India

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1784286

Reference61 articles.

1. Exploring the structural requirements in multiple chemical scaffolds for the selective inhibition of Plasmodium falciparum calcium-dependent protein kinase-1 (PfCDPK-1) by 3D-pharmacophore modelling, and docking studies

2. Mathematical modeling of cytotoxicity of metal oxide nanoparticles using the index of ideality correlation criteria

3. Predictive QSAR modeling for the antioxidant activity of natural compounds derivatives based on Monte Carlo method

4. Design and Synthesis of Brain Penetrant Trypanocidal N-Myristoyltransferase Inhibitors

5. A Serendipitous Synthesis: SiO2‐HNO3Mediated Oxidative Aromatization and Regioselective Nitration of 1,3,5‐Trisubstituted‐4,5‐Dihydro‐1H‐Pyrazoles

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