Synthesis of isoniazid analogs with promising antituberculosis activity and bioavailability: biological evaluation and computational studies
R Gavadia, J Rasgania, MV Basil, V Chauhan… - Journal of Molecular …, 2023 - Elsevier
A series of aliphatic isoniazid carbo (x/thio) amides has been synthesized by a facile one-pot
green method in aqueous media by harnessing microwave irradiations. In vitro …
green method in aqueous media by harnessing microwave irradiations. In vitro …
DFT based QSAR/QSPR models in the development of novel anti-tuberculosis drugs targeting Mycobacterium tuberculosis
S Rajkhowa, R C. Deka - Current Pharmaceutical Design, 2014 - benthamdirect.com
Tuberculosis caused by Mycobacterium tuberculosis is an infectious bacterial disease which
is a leading cause of mortality affecting more than 9 million people worldwide. The current …
is a leading cause of mortality affecting more than 9 million people worldwide. The current …
Combined docking and molecular dynamics simulations to enlighten the capacity of Pseudomonas cepacia and Candida antarctica lipases to catalyze quercetin …
B Christelle, BDO Eduardo, C Latifa… - Journal of …, 2011 - Elsevier
A combined docking and molecular dynamics protocol was applied to investigate quercetin
binding modes within the catalytic cavity of Candida antarctica lipase B (CALB) and …
binding modes within the catalytic cavity of Candida antarctica lipase B (CALB) and …
Synthesis of acacetin and resveratrol 3, 5-di-O-β-glucopyranoside using lipase-catalyzed regioselective deacetylation of polyphenol glycoside peracetates as the key …
S Hanamura, K Hanaya, M Shoji, T Sugai - Journal of Molecular Catalysis B …, 2016 - Elsevier
Abstract Acacetin and resveratrol 3, 5-di-O-β-glucopyranoside were synthesized from
naturally abundant naringin and piceid in 65% and 62% overall yield, respectively. The key …
naturally abundant naringin and piceid in 65% and 62% overall yield, respectively. The key …
Molecular rules for chemo-and regio-selectivity of Candida antarctica lipase B in peptide acylation reactions
F Ferrari, C Paris, B Maigret, C Bidouil… - Journal of Molecular …, 2014 - Elsevier
The chemo-and regio-selectivity of the lipase B of Candida antarctica (CALB) in peptide
acylation by oleic acid was investigated combining experimental and theoretical …
acylation by oleic acid was investigated combining experimental and theoretical …
Molecular Details of INH-C10 Binding to wt KatG and Its S315T Mutant
Isoniazid (INH) is still one of the two most effective antitubercular drugs and is included in all
recommended multitherapeutic regimens. Because of the increasing resistance of …
recommended multitherapeutic regimens. Because of the increasing resistance of …
Molecular modelling of Mycobacterium tuberculosis acetolactate synthase catalytic subunit and its molecular docking study with inhibitors
TCS Souza, D Josa, TC Ramalho… - Molecular …, 2008 - Taylor & Francis
Mycobacterium tuberculosis is a leading cause of infectious disease in the world today. This
outlook is aggravated by a growing number of M. tuberculosis infections in individuals who …
outlook is aggravated by a growing number of M. tuberculosis infections in individuals who …
Synthesis, Biology, Computational Studies and In Vitro Controlled Release of New Isoniazid-Based Adamantane Derivatives
A Papageorgiou, AS Foscolos… - Future Medicinal …, 2019 - Taylor & Francis
Aim: There is a necessity for new drugs to be more efficient than today's standard due to the
emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) …
emergence of drug-resistant strains of Mycobacterium tuberculosis (Mtb) …
Étude de la sélectivité d'acylation enzymatique de peptides: prédiction de la sélectivité de la lipase B de Candida antarctica par modélisation moléculaire et recherche …
F Ferrari - 2014 - theses.hal.science
Les peptides sont des molécules pouvant posséder une activité biologique intéressante
(antibiotique, anti-oxydante, antivirale, anti-hypertensive…). Ce sont cependant des …
(antibiotique, anti-oxydante, antivirale, anti-hypertensive…). Ce sont cependant des …
Designing and testing holistic computational frameworks for identification of the most effective vaccine and drug targets against human and bovine tuberculosis: A …
P Pawar - 2021 - researcharchive.lincoln.ac.nz
Abstract The World Health Organization has considered tuberculosis (TB) a threat with a
significant mortality and morbidity rate worldwide. TB is caused by notorious Mycobacterium …
significant mortality and morbidity rate worldwide. TB is caused by notorious Mycobacterium …