Study of Anti-Tuberculosis Activity Behaviour of N... - BV FAPESP
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(Reference retrieved automatically from Web of Science through information on FAPESP grant and its corresponding number as mentioned in the publication by the authors.)

Study of Anti-Tuberculosis Activity Behaviour of Natural Kaurane and Trachylobane Diterpenes Compared with Structural Properties Obtained by Theoretical Calculations

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Author(s):
Soares, Ana C. F. ; Cabral, Mirela M. W. ; Martins, Carlos H. G. ; Ferreira, Alexsandro E. ; Bergamo, Pedro A. S. ; Omosa, Leonida K. ; Midiwo, Jacob O. ; Parreira, Renato L. T. ; Heleno, Vladimir C. G.
Total Authors: 9
Document type: Journal article
Source: NATURAL PRODUCT COMMUNICATIONS; v. 12, n. 5, p. 763-769, MAY 2017.
Web of Science Citations: 0
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. (AU)

FAPESP's process: 11/07623-8 - The use of quantum-mechanical methods to study the bonds and chemical interactions in self-organizing systems with applications in catalysis, medicinal chemistry, electrochromism, energy storage and conversion
Grantee:Renato Luis Tame Parreira
Support Opportunities: Research Grants - Young Investigators Grants
FAPESP's process: 09/09491-1 - Structural modifications and detailed NMR studies of biologically active natural products
Grantee:Vladimir Constantino Gomes Heleno
Support Opportunities: Regular Research Grants