HUBLIKAR, M., V. KADU, Jitender KUMAR, D. RAUT, S. SHIRAME, P. MAKAM and R. BHOSALE. (E)-2-(2-Allylidenehydrazinyl)thiazole derivatives: Design, green synthesis, in silico and in vitro antimycobacterial and radical scavenging studies. Archiv der Pharmazie. Weinheim: Verlag Chemie, 2020, vol. 353, No 7, p. 2000003-2000014. ISSN 0365-6233. Available from: https://dx.doi.org/10.1002/ardp.202000003.
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Basic information
Original name (E)-2-(2-Allylidenehydrazinyl)thiazole derivatives: Design, green synthesis, in silico and in vitro antimycobacterial and radical scavenging studies
Authors HUBLIKAR, M., V. KADU, Jitender KUMAR (356 India, guarantor, belonging to the institution), D. RAUT, S. SHIRAME, P. MAKAM and R. BHOSALE.
Edition Archiv der Pharmazie. Weinheim, Verlag Chemie, 2020, 0365-6233.
Other information
Original language English
Type of outcome Article in a journal
Field of Study 30104 Pharmacology and pharmacy
Country of publisher Germany
Confidentiality degree is not subject to a state or trade secret
WWW URL
Impact factor Impact factor: 3.751
RIV identification code RIV/00216224:14740/20:00118399
Organization unit Central European Institute of Technology
Doi http://dx.doi.org/10.1002/ardp.202000003
UT WoS 000530383800001
Keywords in English (E)-2-(2-allylidenehydrazinyl)thiazoles; anti-inflammatory; antituberculosis; radical scavenger; beta-ketoacyl-ACP synthase
Tags rivok
Tags International impact, Reviewed
Changed by Changed by: Mgr. Pavla Foltynová, Ph.D., učo 106624. Changed: 16/3/2021 20:10.
Abstract
By understanding the rampant infections of Mycobacterium tuberculosis (Mtb) and inflammations caused due to the generation of radical species during the Mtb infection, a series of (E)-2-(2-allylidenehydrazinyl)thiazole derivatives, with dual-action properties, was designed. The molecules were designed with a considerable variation in LogP, one of the critical parameters in physicochemical properties, and analyzed for their drug-likeness. For the synthesis, a simple, green, and multicomponent one-pot synthesis method was developed. The in vitro inhibition potentials were evaluated against Mtb H(37)Rv by the microplate Alamar Blue assay. The results reveal that compound 6 was potent, with a MIC value of 6.5 mu g/ml, and showed better interactions with the KasA protein with binding free energy (Delta G) of -9.4 kcal/mol. Also, the radical scavenging properties were studied to establish the dual-action properties of the molecules. Compound 9 exhibited promising antioxidant and nitric oxide radical scavenging activities, with 81.7% and 81.0%, respectively, at 1,000-mu g/ml concentration.
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