Anti-tubercular Potency and Computationallyassessed Drug-likeness and Toxicology of Diversely Substituted Indolizines
Katharigatta N. Venugopala, Christophe Tratrat, Sandeep Chandrashekharappa, Mahesh Attimarad, Nagaraja Sreeharsha, Anroop B. Nair, Pottathil Shinu, Rashmi Venugopala, et al. (12 authors)
Indian Journal of Pharmaceutical Education and Research · 2019-07
Abstract
Background: Several promising compounds against multi-drug-resistant Mycobacterium tuberculosis (MTB) are currently in the drug discovery and development pipeline. While it has yet to establish candidature in this pipeline, early results have been promising for the putative anti-mycobacterial potency of the indolizine scaffold. Methods: The molecular properties, as well as the Absorption, Disruption, Metabolism, Excretion and Toxicity (ADMET) of indolizines were assessed using the Accelry's Discovery Studio 4.0 client package. Results: The current study evaluated the in vitro potency of 14 diversely substituted indolizine congeners against H37Rv and multi-drug-resistant strains of M. tuberculosis. While all 14 congeners showed potent anti-mycobacterial activity, only three of them had optimal drug-likeness and toxicology, as per in silico evaluations.
MeSH terms
- Indolizine
- Potency
- Drug
- In silico
- Mycobacterium tuberculosis
- Bedaquiline
- Drug discovery
- Chemistry
- Pharmacology
- Tuberculosis
- Toxicology