AI Article Synopsis
- Seven diterpenes, including three kauranes and four trachylobanes, were extracted from the African plant Psiadia punctulata and tested against Mycobacterium tuberculosis, showing activity similar to cycloserine, a secondary drug for treating TB.
- The study also analyzed various structural properties of these diterpenes, such as lipophilicity, HOMO and LUMO energies, charge density, and intramolecular hydrogen bond formation using theoretical calculations.
- Significant correlations were found between the diterpenes' activity and their structural properties, particularly highlighting the relationships between activity, lipophilicity, and intramolecular hydrogen bond formation.
Article 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.
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