Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis-Reference-Cited by-同舟云学术

Pharmacophore model-based virtual screening, docking, biological evaluation and molecular dynamics simulations for inhibitors discovery against α-tryptophan synthase from Mycobacterium tuberculosis

Published:2020-01-25 Issue:2 Volume:39 Page:610-620
ISSN:0739-1102
Container-title:Journal of Biomolecular Structure and Dynamics
language:en
Short-container-title:Journal of Biomolecular Structure and Dynamics

Author:

Naz Sadia¹²,Farooq Umar¹,Khan Sara³,Sarwar Rizwana²,Mabkhot Yahia Nasser⁴,Saeed Maria⁵,Alsayari Abdulrahman⁶,Muhsinah Abdullatif Bin⁶,Ul-Haq Zaheer⁵

Affiliation:

1. Tianjin Institute of Industrial Biotechnology, Chinese Academy of Sciences, Tianjin, China;

2. Department of Chemistry, COMSATS University Islamabad, Abbottabad, Pakistan;

3. Department of Bioinformatics, Hazara University, Mansehra, Pakistan;

4. Department of Pharmaceutical Chemistry, College of Pharmacy, King Khalid University, Abha, Saudi Arabia;

5. Dr. Panjwani Center for Molecular Medicine and Drug Research, International Center for Chemical and Biological Sciences, University of Karachi, Karachi, Pakistan;

6. Department of Pharmacognosy, College of Pharmacy, King Khalid University, Abha, Saudi Arabia

Publisher

Informa UK Limited

Subject

Molecular Biology,General Medicine,Structural Biology

Link

https://www.tandfonline.com/doi/pdf/10.1080/07391102.2020.1715259

Reference33 articles.

1. Structure and Mechanistic Implications of a Tryptophan Synthase Quinonoid Intermediate

2. Discovery of Novel Nitrobenzothiazole Inhibitors for Mycobacterium tuberculosis ATP Phosphoribosyl Transferase (HisG) through Virtual Screening

3. Use of ligand-based pharmacophore modeling and docking approach to find novel acetylcholinesterase inhibitors for treating Alzheimer's

4. Allosteric regulation of substrate channeling and catalysis in the tryptophan synthase bienzyme complex

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