Pyridine appended 2-hydrazinylthiazole derivatives: design, synthesis, in vitro and in silico antimycobacterial studies.
| Title: | Pyridine appended 2-hydrazinylthiazole derivatives: design, synthesis, in vitro and in silico antimycobacterial studies. |
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| Authors: | Matsa R; Department of Chemistry, Pondicherry University Kalapet Puducherry 605 014 India tharani.che@pondiuni.edu.in.; Makam P; Dr Param Laboratories Plot No. 478, BN. Reddy Nagar, Cherlapally Hyderabad Telangana 500 051 India.; Division of Research and Innovation, Department of Chemistry, Uttaranchal University Arcadia Grant, P.O. Chandanwari, Premnagar Dehradun Uttarakhand 248007 India.; Sethi G; Centre for Bioinformatics, Pondicherry University Puducherry 605 014 India.; Thottasseri AA; Department of Chemistry, Pondicherry University Kalapet Puducherry 605 014 India tharani.che@pondiuni.edu.in.; Kizhakkandiyil AR; Department of Chemistry, Pondicherry University Kalapet Puducherry 605 014 India tharani.che@pondiuni.edu.in.; Ramadas K; Centre for Bioinformatics, Pondicherry University Puducherry 605 014 India.; Mariappan V; Central Inter-Disciplinary Research Facility (CIDRF), Sri Balaji Vidyapeeth (Deemed to be University) Puducherry 607 402 India.; Pillai AB; Central Inter-Disciplinary Research Facility (CIDRF), Sri Balaji Vidyapeeth (Deemed to be University) Puducherry 607 402 India.; Kannan T; Department of Chemistry, Pondicherry University Kalapet Puducherry 605 014 India tharani.che@pondiuni.edu.in. |
| Source: | RSC advances [RSC Adv] 2022 Jun 22; Vol. 12 (29), pp. 18333-18346. Date of Electronic Publication: 2022 Jun 22 (Print Publication: 2022). |
| Publication Type: | Journal Article |
| Language: | English |
| Journal Info: | Publisher: Royal Society of Chemistry Country of Publication: England NLM ID: 101581657 Publication Model: eCollection Cited Medium: Internet ISSN: 2046-2069 (Electronic) Linking ISSN: 20462069 NLM ISO Abbreviation: RSC Adv Subsets: PubMed not MEDLINE |
| Imprint Name(s): | Original Publication: Cambridge [England] : Royal Society of Chemistry, [2011]- |
| Abstract: | An array of pyridine appended 2-hydrazinylthiazole derivatives has been synthesized to discover novel chemotherapeutic agents for Mycobacterium tuberculosis (Mtb). The drug-likeness of pyridine appended 2-hydrazinylthiazole derivatives was validated using the Lipinski and Veber rules. The designed thiazole molecules have been synthesized through Hantzsch thiazole methodologies. The in vitro antimycobacterial studies have been conducted using Luciferase reporter phage (LRP) assay. Out of thirty pyridine appended 2-hydrazinylthiazole derivatives, the compounds 2b, 3b, 5b, and 8b have exhibited good antimycobacterial activity against Mtb, an H37Rv strain with the minimum inhibitory concentration in the range of 6.40-7.14 μM. In addition, in vitro cytotoxicity of active molecules has been observed against Human Embryonic Kidney Cell lines (HEK293t) using MTT assay. The compounds 3b and 8b are nontoxic and their cell viability is 87% and 96.71% respectively. The in silico analyses of the pyridine appended 2-hydrazinylthiazole derivatives have been studied to find the mode of binding of the active compounds with KasA protein of Mtb. The active compounds showed a strong binding score (-5.27 to -6.23 kcal mol-1).; (This journal is © The Royal Society of Chemistry.) |
| Competing Interests: | There are no conflicts to declare. |
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| Entry Date(s): | Date Created: 20220708 Latest Revision: 20220716 |
| Update Code: | 20260130 |
| PubMed Central ID: | PMC9215125 |
| DOI: | 10.1039/d2ra02163c |
| PMID: | 35799934 |
| Database: | MEDLINE |
Journal Article