Affiliation:
1. Núcleo de Pesquisas em Ciências Exatas e Tecnológicas, Universidade de Franca, 14404–600, Franca, São Paulo, Brazil
2. Department of Chemistry, University of Nairobi, Nairobi 00100, Kenya
Abstract
A set of seven diterpenes, three kauranes and four trachylobanes, isolated from the African plant Psiadia punctulata were assayed against Mycobacterium tuberculosis and reached activity comparable with cycloserine, a second line drug used to treat tuberculosis (TB). Several structural properties of those diterpenes, such as lipophilicity, HOMO and LUMO energies, charge density, and intramolecular hydrogen bond (IHB) formation, were obtained by theoretical calculations and compared with their activities. Peculiar correlations were observed, especially between activity, lipophilicity and IHB formation.
Subject
Complementary and alternative medicine,Plant Science,Drug Discovery,Pharmacology,General Medicine
Cited by
1 articles.
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