Work

Rational design and microwave-promoted synthesis of triclosan-based dimers: targeting InhA for anti-mycobacterial profiling

Year: 2024

Type: article

Abstract: A set of alkyl-/1H-1,2,3-triazole-based dimers was strategically designed and synthesized to evaluate their in vitro anti-mycobacterial activities against Mycobacterium tuberculosis and the non-tuberculous Mycobacterium abscessus strains. Systematic variations in the nature (alkyl/1H-1,2,3-triazole) and positioning of the linker were implemented based on the docking scores observed in the binding sites identified in the crystal structures of InhA from M. tuberculosis and M. abscessus . However, the in vitro evaluation results revealed that the synthesized compounds did not exhibit inhibitory effects on the growth of mycobacteria, even at the highest tested concentrations. The elevated lipophilicity values determined through ADMET studies for these synthesized dimers might be a contributing factor to their poor activity profiles.

Source: Royal Society Open Science

DOI: 10.1098/rsos.240676

Authors: Shekhar, Francoise Roquet-Banères, Amit Anand, Laurent Kremer, Vipan Kumar

Institutions: Guru Nanak Dev University, Centre National de la Recherche Scientifique, Université de Montpellier, Institut de Recherche en Infectiologie de Montpellier, Inserm

Language: English

Topic: Synthesis and Characterization of Heterocyclic Compounds

Subfield: Organic Chemistry

Field: Chemistry

Domain: Physical Sciences

SDG: Good health and well-being

Open Access status: gold

Estimated APC paid: $1,471