Drug Discovery for Mycobacterium tuberculosis Using Structure-Based Computer-Aided Drug Design Approach

MA Ejalonibu, SA Ogundare, AA Elrashedy… - International Journal of …, 2021 - mdpi.com
Developing new, more effective antibiotics against resistant Mycobacterium tuberculosis that
inhibit its essential proteins is an appealing strategy for combating the global tuberculosis …

Update of antitubercular prodrugs from a molecular perspective: mechanisms of action, bioactivation pathways, and associated resistance

J Laborde, C Deraeve… - ChemMedChem, 2017 - Wiley Online Library
The place of prodrugs in the current antitubercular therapeutic arsenal is preponderant,
since two of the four first‐line antitubercular agents, isoniazid (INH) and pyrazinamide (PZA) …

The stability of nitrogen-centered radicals

J Hioe, D Šakić, V Vrček, H Zipse - Organic & biomolecular chemistry, 2015 - pubs.rsc.org
Radical stabilization energies (RSEs) for a wide variety of nitrogen-centered radicals and
their protonated counterparts have been calculated at G3 (MP2)-RAD and G3B3 level. The …

Rifampin induces hydroxyl radical formation in Mycobacterium tuberculosis

G Piccaro, D Pietraforte, F Giannoni… - Antimicrobial agents …, 2014 - Am Soc Microbiol
The antituberculosis (anti-TB) drug rifampin (RIF) binds to the beta subunit of the RNA
polymerase (RpoB) of Mycobacterium tuberculosis, but the bactericidal responses triggered …

Study of isoniazid degradation by Fenton and photo-Fenton processes, by-products analysis and toxicity evaluation

F Rodrigues-Silva, CR Lemos, AA Naico… - … of Photochemistry and …, 2022 - Elsevier
This paper presents the degradation of the most widely used antibiotics for the treatment of
tuberculosis, isoniazid (INH), by Fenton, photo-Fenton on bench-scale, and solar photo …

Isoniazid and host immune system interactions: A proposal for a novel comprehensive mode of action

SR Khan, Y Manialawy, AG Siraki - British journal of …, 2019 - Wiley Online Library
The known mode of action of isoniazid (INH) is to inhibit bacterial cell wall synthesis
following activation by the bacterial catalase–peroxidase enzyme KatG in Mycobacterium …

Metabolism of isoniazid by neutrophil myeloperoxidase leads to isoniazid-NAD+ adduct formation: a comparison of the reactivity of isoniazid with its known human …

SR Khan, AGM Morgan, K Michail, N Srivastava… - Biochemical …, 2016 - Elsevier
The formation of isonicotinyl-nicotinamide adenine dinucleotide (INH-NAD+) via the
mycobacterial catalase-peroxidase enzyme, KatG, has been described as the major …

Synthesis, oxidation potential and anti–mycobacterial activity of isoniazid and analogues: insights into the molecular isoniazid activation mechanism

J Laborde, C Deraeve, L Lecoq… - …, 2016 - Wiley Online Library
Tuberculosis (TB) is one of the leading causes of death due to infectious diseases. Among
the specific drugs currently employed to treat tuberculosis, isoniazid (INH), a pro‐drug …

Kinetics and mechanism of oxidation of the anti-tubercular prodrug isoniazid and its analog by iridium (IV) as models for biological redox systems

J Dong, Y Ren, S Sun, J Yang, C Nan, H Shi, J Xu… - Dalton …, 2017 - pubs.rsc.org
A complex reaction mechanism of oxidation of the anti-tubercular prodrug isoniazid
(isonicotinic hydrazide, INH) by [IrCl6] 2− as a model for redox processes of such drugs in …

The crystal structure of isoniazid‐bound KatG catalase‐peroxidase from Synechococcus elongatus PCC7942

S Kamachi, K Hirabayashi, M Tamoi… - The FEBS …, 2015 - Wiley Online Library
Isoniazid (INH) is one of the most effective antibiotics against tuberculosis. INH is a prodrug
that is activated by KatG. Although extensive studies have been performed in order to …