Spectroscopic investigation, vibrational assignments, HOMO-LUMO, NBO, MEP analysis and molecular docking studies of oxoaporphine alkaloid liriodenine

Molecular modeling and inhibition of phospholipase A2 by polyhydroxy phenolic compounds

A multivariate study on flavonoid compounds scavenging the peroxynitrite free radical

Larvicidal, adulticidal and repellent activities against Aedes aegypti L. of two commonly used spices, Origanum vulgare L. and Thymus vulgaris L.

Vibrational, structural and electronic properties investigation by DFT calculations and molecular docking studies with DNA topoisomerase II of strychnobrasiline type alkaloids: A theoretical approach for potentially bioactive molecules

Quantum chemical properties investigation and molecular docking analysis with DNA topoisomerase II of β-carboline indole alkaloids from Simaba guianensis: a combined experimental and theoretical DFT study