Design of Cyclobut-3-Ene-1,2 Dione Derivatives as Anti-tubercular Agents DOI

Ramalakshmi Natarajan,

K. Bhuvaneshwaran,

A. Prabakaran

et al.

Current Enzyme Inhibition, Journal Year: 2024, Volume and Issue: 20(2), P. 132 - 149

Published: Jan. 26, 2024

Introduction: Recent studies have shown modified cyclobutene derivatives as potent anti- tubercular agents, and the discovery of drugs against strains Mycobacterium tuberculosis is still a crucial challenge in modern world. Objective: The objective present study to design perform molecular docking in-silico analysis some novel cyclobut-3-ene-1,2 Dione with aim creating new, potential Mtb ATP synthase inhibitors. Materials Methods: structures 24 compounds diamino-substituted were drawn using ChemSketch. Further, for prediction drug-likeness pharmacokinetic parameters carried out. Results: done, they had better score good binding affinity towards protein molecule. synthesized also comply activity synthase. Conclusion: current shows that can serve lead molecule be involved further drug

Language: Английский

In silico drug design strategies for discovering novel tuberculosis therapeutics DOI
Christian S. Carnero Canales, Aline Renata Pavan, Jean Leandro dos Santos

et al.

Expert Opinion on Drug Discovery, Journal Year: 2024, Volume and Issue: 19(4), P. 471 - 491

Published: Feb. 19, 2024

Introduction Tuberculosis remains a significant concern in global public health due to its intricate biology and propensity for developing antibiotic resistance. Discovering new drugs is protracted expensive endeavor, often spanning over decade incurring costs the billions. However, computer-aided drug design (CADD) has surfaced as nimbler more cost-effective alternative. CADD tools enable us decipher interactions between therapeutic targets novel drugs, making them invaluable quest tuberculosis treatments.

Language: Английский

Citations

8
Recent Advances in Inhibitor Development and Metabolic Targeting in Tuberculosis Therapy DOI

Ritu Raj Patel,

Vidyasagar,

Sudhir Singh

et al.

Microbial Pathogenesis, Journal Year: 2025, Volume and Issue: unknown, P. 107515 - 107515

Published: March 1, 2025

Language: Английский

Citations

0
Benzylpyrazolyl naphthoquinones as potential VEGFR-2, GPCR and PPAR inhibitors: Synthesis, anti-cancer evaluation, molecular docking and DFT studies DOI

Pradnya Patil,

Pruthanka Patil, Padma B. Dandge

et al.

Journal of Molecular Structure, Journal Year: 2023, Volume and Issue: 1301, P. 137202 - 137202

Published: Dec. 13, 2023

Language: Английский

Citations

6
Design of Cyclobut-3-Ene-1,2 Dione Derivatives as Anti-tubercular Agents DOI

Ramalakshmi Natarajan,

K. Bhuvaneshwaran,

A. Prabakaran

et al.

Current Enzyme Inhibition, Journal Year: 2024, Volume and Issue: 20(2), P. 132 - 149

Published: Jan. 26, 2024

Introduction: Recent studies have shown modified cyclobutene derivatives as potent anti- tubercular agents, and the discovery of drugs against strains Mycobacterium tuberculosis is still a crucial challenge in modern world. Objective: The objective present study to design perform molecular docking in-silico analysis some novel cyclobut-3-ene-1,2 Dione with aim creating new, potential Mtb ATP synthase inhibitors. Materials Methods: structures 24 compounds diamino-substituted were drawn using ChemSketch. Further, for prediction drug-likeness pharmacokinetic parameters carried out. Results: done, they had better score good binding affinity towards protein molecule. synthesized also comply activity synthase. Conclusion: current shows that can serve lead molecule be involved further drug

Language: Английский

Citations

0