e ISSN- 2249-7668

Print ISSN- 2249-7676

ISSN

2249-7676

e ISSN

2249-7668

Publisher

pharmacology and toxicology

MOLECULAR DOCKING AND ADMET ANALYSIS OF BRASSICA OLERACEA VAR PLANT CONSTITUENTS WITH MULTIPLE PHARMACOLOGICAL ACTIVITIES
Author / Afflication
Dr. Saravanan C

Professor Cum HOD Department of Pharmaceutical Analysis, Aadhibhagawan College of Pharmacy, Rantham Village, Thiruvannamalai District-604407, Tamil Nadu, India
Janani J

B. Pharm Final Year, Aadhibhagawan College of Pharmacy, Rantham Village, Thiruvannamalai District-604407, Tamil Nadu, India
Keywords
Brassica oleracea var, ADMET analysis, flavonoids ,
Abstract

Brassica oleracea var. italica, commonly known as broccoli, is an important vegetable plant belonging to the family Brassicaceae. It is widely recognized for its nutritional value and rich phytochemical composition. Broccoli contains several biologically active compounds, particularly glucosinolates, flavonoids, phenolic compounds and carotenoids. Important phytoconstituents include glucoraphanin, glucobrassicin, sulforaphane, indole-3-carbinol and 3,3?-diindolylmethane. Other constituents such as quercetin, kaempferol, lutein, ?-carotene and phenolic acids contribute to its biological properties. Sulforaphane is an important isothiocyanate formed from glucoraphanin and has attracted considerable pharmacological interest. Indole-3-carbinol is derived from glucobrassicin and can further form 3,3?-diindolylmethane. These phytoconstituents have been investigated for antioxidant and anti-inflammatory properties. Broccoli phytochemicals have also received considerable attention for their potential anticancer effects. Their ability to interact with molecular targets involved in cancerrelated pathways makes them interesting candidates for computational studies. Molecular docking is an important in-silico technique used to predict the interaction between phytoconstituents and target proteins. It helps evaluate binding affinity, binding orientation and molecular interactions within the target protein. ADMET analysis can additionally provide preliminary information about absorption, distribution, metabolism, excretion and toxicity. Therefore, selected phytoconstituents of B. oleracea var. italica can be investigated against suitable pharmacological targets using molecular docking and ADMET analysis. This approach may help identify promising broccoli-derived compounds for further experimental investigation and potential drug-development studies

Volume / Issue / Year

16 , 2 , 2026

Starting Page No / Endling Page No

64 - 80