Identification of novel inhibitors of <i>Neisseria gonorrhoeae</i> MurI using homology modeling, structure-based pharmacophore, molecular docking, and molecular dynamics simulation-based approach-Reference-Cited by-同舟云学术

Identification of novel inhibitors of Neisseria gonorrhoeae MurI using homology modeling, structure-based pharmacophore, molecular docking, and molecular dynamics simulation-based approach

Published:2022-09-15 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:

Kant Ravi¹,Jha Prakash²,Saluja Daman¹,Chopra Madhu²

Affiliation:

1. Medical Biotechnology Laboratory, Dr. B. R. Ambedkar Center for Biomedical Research & Delhi School of Public Health, IoE, University of Delhi, Delhi, India

2. Laboratory of Molecular Modeling and Drug Development, Dr. B. R. Ambedkar Center for Biomedical Research, University of Delhi, Delhi, India

Funder

Department of Biotechnology, Government of India.

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2022.2121943

Reference46 articles.

1. GROMACS: High performance molecular simulations through multi-level parallelism from laptops to supercomputers

2. Multidrug-resistant gonorrhea: A research and development roadmap to discover new medicines

3. Cephalosporin resistance in Neisseria gonorrhoeae

4. Ligands for Glutamate Receptors: Design and Therapeutic Prospects

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