Abstract
Chemical reactivity descriptors of indol-4-ones obtained via density functional theory (DFT) and hard-soft acid-base (HSAB) principle were calculated to prove their contribution in antifungal activity [...].
Keywords:
DFT; Fukui function; HSAB principle; MEP; antifungal activity; indol-4-ones; structure-activity analysis.
MeSH terms
-
Algorithms
-
Antifungal Agents / chemistry*
-
Antifungal Agents / pharmacology*
-
Fungi / drug effects
-
Indoles / chemistry*
-
Indoles / pharmacology*
-
Microbial Sensitivity Tests
-
Models, Chemical*
-
Models, Molecular*
-
Molecular Structure
-
Static Electricity
-
Structure-Activity Relationship
Substances
-
Antifungal Agents
-
Indoles