Depiction of new flavonoids from <i>Nyctanthus arbor-tristis</i>, their antimicrobial activity and drug-likeness prediction

Bioactive compounds derived from medicinal plants, such as alkaloids, tannins and flavonoids, possess significant medicinal properties. These compounds have a broad and versatile impact on human nutrition and physiology, contributing to the treatment and management of various diseases. The isolation, structure elucidation and inhibition studies of two novel flavonoids against specific microorganisms, from the leaves of Nyctanthus arbor-tristis are reported in this study. It has been observed for the first time that the presence of an acyl aliphatic moiety, along with the O- glycoside unit at C-7, and the hydroxyl group at C-5, C-4′ position in apigenin significantly enhanced antimicrobial activity. Moreover, bioactivity was also investigated through ‘Molinspiration’ on various parameters followed by the ‘rule of five’. This study can be used to highlight the need for the potential development of natural therapeutic products with fewer side effects.