Investigation renin inhibitor activity from flavonoids derivates by in silico study

Flavonoids have various medicinal activities, for example antihypertensive, anticancer, and and antidiabetic effects. Several research has proven that luteolin, quercetin, kaempferol, myricetin, naringenin, hesperetin, and epicatechin have antihypertensive effects, however the mechanism of action has not yet been discovered with certainty. This research aims to recognize flavonoids from luteolin, quercetin, kaempferol, myricetin, naringenin, hesperetin, and epicatechin as renin inhibitors through in silico study seven flavonoid compounds were docked with 2V0Z with renin inhibitor (Aliskiren) in humans (Homo sapiens 6 LU7) using AutoDock v4.2.6. SwissADME was utilized to judge the pharmacokinetic characteristics of NSC 9221 those substances. Results molecular binding of luteolin, quercetin, kaempferol, myricetin, naringenin, hesperetin, and epicatechin, has potential as renin inhibitors with affinity energy values less than individuals of aliskiren of -9.3 -9.3 -10. -9.2 -9.9 -9.3 and -9.7 kcal/mol. The interactions of those seven compounds have a similar catalytic activity as aliskiren on two aspartic acidity residues, Asp32 and Asp215. Case study of pharmacokinetic profiles and the quest for physical and chemical qualities demonstrated the seven compounds violated three from the five Lipinski rules, while aliskiren violated one. Hesperitin, kaempferol, and naringenin had similarities with aliskiren around the amino-acidity residues within the renin-binding pocket. However, according to pharmacokinetic analysis, the 3 compounds had an dental pharmacokinetic profile that might have been much better than aliskiren.