Natural acylated flavonoids: their chemistry and biological merits in context to molecular docking studies

Abstract Acylated flavonoids are widely distributed natural dietary bioactives with several health attributes. A large diversity of acylated interesting biological potentialities were reported. Of these, 123 compounds potential antimicrobial, antiparasitic, anti-inflammatory, anti-nociceptive, analgesic and anti-complementary effects selected from databases. Based upon these data, the possible mechanistic evidence for their Generally, aromatic acyls i.e., galloyl derivatives appeared to improve efficacy through enhancement binding affinities molecular targets due plenty donating accepting centers. Docking simulations conducted by Molecular Operating Environment (MOE) revealed that compound 12 is at top list into antibacterial target DNA gyrase subunit B (GyrB), E. coli , followed 10 4 23 . Compounds 81, 88, 96, 92, 99, 100, 102 103 have strongest Human matrix metallopeptidase (MMP) 2 9 catalytic domains. Compound exerted most balanced predicted dual MMP-2/MMP-9 inhibition action. 95 recorded affinity metabotropic glutamate receptor (mglur1) lowest energy conformer. The data presented in this review suggests candidate ought be considered future drug developments especially as anti-inflammatory antimicrobial agents.