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Sinteza potencialnih zaviralcev encima InhA z N-cikloalkilamidnim skeletom in optimizacija pogojev ločbe enantiomerov zaviralcev InhA

, 2017
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Unlocking InhA: Novel approaches to inhibit Mycobacterium tuberculosis.

Bioorganic Chemistry
Multidrug-resistant tuberculosis continues to pose a health security risk and remains a public health emergency. Antimicrobial resistance result from treatment regimens that are both insufficient and incomplete leading to the emergence of multidrug ...
S. K. Wahan, Gaurav Bhargava, V. Chawla, Pooja A. Chawla   +3 more
semanticscholar   +3 more sources

Computational insights into potential marine natural products as selective inhibitors of Mycobacterium tuberculosis InhA: A structure-based virtual screening study

Comput. Biol. Chem., 2023
Several factors are associated with the emergence of drug resistance mechanisms, such as impermeable cell walls, gene mutations, and drug efflux systems. Consequently, bacteria acquire resistance, leading to a decrease in drug efficacy.
Manikandan Jayaraman, Vijayakumar Gosu, Rajalakshmi Kumar, J. Jeyakanthan   +3 more
semanticscholar   +1 more source

Isatin-pyrimidine hybrid derivatives as enoyl acyl carrier protein reductase (InhA) inhibitors against Mycobacterium tuberculosis.

Bioorganic chemistry (Print), 2023
Tuberculosis is a worldwide problem that impose a burden on the economy due to continuous development of resistant strains. The development of new antitubercular drugs is a need and can be achieved through inhibition of druggable targets.
Abdalrahman Khalifa, A. Khalil, M. Abdel-Aziz, A. Albohy, S. Mohamady   +4 more
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Design, synthesis and anti-Tb evaluation of chalcone derivatives as novel inhibitors of InhA

Journal of Biomolecular Structure and Dynamics, 2023
A series of halogenated chalcone derivatives were designed and developed for anti-tubercular activity. Novel molecules were designed and in-silico screening were performed using admetSAR, SwissADME, and Osiris Property Explorer.
D. L. S., K. M K, Gopalakrishnan Thamilselvan   +2 more
semanticscholar   +1 more source

Exploring the plasticity of the InhA substrate-binding site using new diaryl ether inhibitors.

Bioorganic chemistry (Print), 2023
Tuberculosis (TB), caused by Mycobacterium tuberculosis (Mtb), remains a worldwide scourge with more than 10 million people affected yearly. Among the proteins essential for the survival of Mtb, InhA has been and is still clinically validated as a ...
R. Tamhaev, Emeline Grosjean, Hikmat Ahamed, Mélina Chebaiki, Frédéric Rodriguez, Deborah Recchia, G. Degiacomi, M. Pasca, L. Maveyraud, Lionel Mourey, C. Lherbet   +10 more
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Design, synthesis and molecular docking studies of imidazole and benzimidazole linked ethionamide derivatives as inhibitors of InhA and antituberculosis agents.

Bioorganic & Medicinal Chemistry Letters, 2022
To explore effective antituberculosis agents, a new class of imidazoles and benzimidazoles linked ethionamide analogs were designed and synthesized. The elemental analysis, 1H NMR, 13C NMR and mass spectral data were used to characterize all of the novel
M. Raghu, C. Kumar, K. Y. Kumar, M. Prashanth, M. Alshahrani, Irfan Ahmad, R. Jain   +6 more
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Design, synthesis, in vitro and in silico evaluation of novel substituted 1,2,4-triazole analogues as dual human VEGFR-2 and TB-InhA inhibitors.

Bioorganic chemistry (Print), 2023
Cancer is a leading cause of death globally and has been associated with Mycobacterium tuberculosis (Mtb). The angiogenesis-related VEGFR-2 is a common target between cancer and Mtb.
Amira G. Zawal, M. Abdel-Aziz, Mahmoud H. Elbatreek, Abdalla A. El-Shanawani, Lobna M Abdel-Aziz, Samar S. Elbaramawi   +5 more
semanticscholar   +1 more source