Study of Anti-Tuberculosis Activity Behaviour of Natural Kaurane and Trachylobane Diterpenes Compared with Structural Properties Obtained by Theoretical Calculations
| Autor: | Pedro A. S. Bergamo, Renato L. T. Parreira, Alexsandro E. Ferreira, Jacob O. Midiwo, Ana Carolina Ferreira Soares, Carlos Henrique Gomes Martins, Leonida K. Omosa, Vladimir Constantino Gomes Heleno, Mirela M. W. Cabral |
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| Rok vydání: | 2017 |
| Předmět: |
Pharmacology
biology 010405 organic chemistry Chemistry Stereochemistry Hydrogen bond Cycloserine Plant Science General Medicine 010402 general chemistry biology.organism_classification 01 natural sciences 0104 chemical sciences Mycobacterium tuberculosis Complementary and alternative medicine Intramolecular force Drug Discovery Lipophilicity medicine Structure–activity relationship Molecule HOMO/LUMO medicine.drug |
| Zdroj: | Natural Product Communications. 12:1934578X1701200 |
| ISSN: | 1555-9475 1934-578X |
| DOI: | 10.1177/1934578x1701200521 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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