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Your search keyword '"Naruedon Phusi"' showing total 7 results
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7 results on '"Naruedon Phusi"'

1. Ligand-Based Virtual Screening for Discovery of Indole Derivatives as Potent DNA Gyrase ATPase Inhibitors Active against Mycobacterium tuberculosis and Hit Validation by Biological Assays.

Author

Bongkochawan Pakamwong, Paptawan Thongdee, Bundit Kamsri, Naruedon Phusi, Somjintana Taveepanich, Kampanart Chayajarus, Pharit Kamsri, Auradee Punkvang, Supa Hannongbua, Jidapa Sangswan, Khomson Suttisintong, Sanya Sureram, Prasat Kittakoop, Poonpilas Hongmanee, Pitak Santanirand, Jiraporn Leanpolchareanchai, James Spencer, Adrian J. Mulholland, and Pornpan Pungpo

Published
2024
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2. Bioisosteric Design Identifies Inhibitors of Mycobacterium tuberculosis DNA Gyrase ATPase Activity.

Author

Bundit Kamsri, Bongkochawan Pakamwong, Paptawan Thongdee, Naruedon Phusi, Pharit Kamsri, Auradee Punkvang, Sombat Ketrat, Patchreenart Saparpakorn, Supa Hannongbua, Jidapa Sangswan, Khomson Suttisintong, Sanya Sureram, Prasat Kittakoop, Poonpilas Hongmanee, Pitak Santanirand, Jiraporn Leanpolchareanchai, Kirsty E. Goudar, James Spencer, Adrian J. Mulholland, and Pornpan Pungpo

Published
2023
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5. Discovery of New and Potent InhA Inhibitors as Antituberculosis Agents: Structure-Based Virtual Screening Validated by Biological Assays and X-ray Crystallography.

Author

Pharit Kamsri, Chayanin Hanwarinroj, Naruedon Phusi, Thimpika Pornprom, Kampanart Chayajarus, Auradee Punkvang, Nitima Suttipanta, Potjanee Srimanote, Khomson Suttisintong, Chomphunuch Songsiriritthigul, Patchreenart Saparpakorn, Supa Hannongbua, Siriluk Rattanabunyong, Supaporn Seetaha, Kiattawee Choowongkomon, Sanya Sureram, Prasat Kittakoop, Poonpilas Hongmanee, Pitak Santanirand, Zhaoqiang Chen, Weiliang Zhu, Rosemary A. Blood, Yuiko Takebayashi, Philip Hinchliffe, Adrian J. Mulholland, James Spencer, and Pornpan Pungpo

Published
2020
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6. Identification of Potent DNA Gyrase Inhibitors Active against

Author

Bongkochawan, Pakamwong, Paptawan, Thongdee, Bundit, Kamsri, Naruedon, Phusi, Pharit, Kamsri, Auradee, Punkvang, Sombat, Ketrat, Patchreenart, Saparpakorn, Supa, Hannongbua, Kanchiyaphat, Ariyachaokun, Khomson, Suttisintong, Sanya, Sureram, Prasat, Kittakoop, Poonpilas, Hongmanee, Pitak, Santanirand, James, Spencer, Adrian J, Mulholland, and Pornpan, Pungpo

Subjects
Adenosine Triphosphatases, Adenosine Triphosphate, DNA Gyrase, Antitubercular Agents, Humans, Topoisomerase II Inhibitors, Tuberculosis, Microbial Sensitivity Tests, Mycobacterium tuberculosis
Published
2022

7. Specific interactions between 2-trans enoyl-acyl carrier protein reductase and its ligand: Protein-ligand docking and ab initio fragment molecular orbital calculations

Author

Noriyuki Kurita, Takuya Ezawa, Shogo Tomioka, Bandit Khamsri, Riku Sato, Pornpan Pungpo, Naruedon Phusi, Pharit Kamsri, Auradee Punkvang, and Chayanin Hanwarinroj

Subjects
Protein Conformation, Stereochemistry, Enoyl-acyl carrier protein reductase, Ab initio, Molecular Dynamics Simulation, Ligands, Structure-Activity Relationship, 03 medical and health sciences, 0302 clinical medicine, Acyl Carrier Protein, Materials Chemistry, Amino Acids, Physical and Theoretical Chemistry, Spectroscopy, 030304 developmental biology, 0303 health sciences, Molecular Structure, Hydrogen bond, Chemistry, INHA, Water, Ligand (biochemistry), Computer Graphics and Computer-Aided Design, Molecular Docking Simulation, 030228 respiratory system, Protein–ligand docking, Docking (molecular), Oxidoreductases, Fragment molecular orbital
Abstract

2-trans enoyl-acyl carrier protein reductase (InhA) has been identified as a promising target for the development of novel chemotherapy for tuberculosis. In the present study, a series of heteroaryl benzamide derivatives were selected as potent inhibitors against InhA, and their binding properties with InhA were investigated at atomic and electronic levels by ab initio molecular simulations based on protein-ligand docking, classical molecular mechanics optimizations and ab initio fragment molecular orbital (FMO) calculations. The results evaluated by FMO highlight some key interactions between InhA and the derivatives, indicating that the most potent derivative has strong hydrogen bonds with the Met98 side chain of InhA and strong electrostatic interactions with the nicotinamide adenine dinucleotide cofactor. These findings provide informative structural concepts for designing novel heteroaryl benzamide derivatives with higher binding affinity to InhA.

Published
2019
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