Abstract

Herbs are the core of traditional medicine. Several plants have been identified and extensively utilized for their therapeutic value from the very beginning of civilization. Clerodendrum colebrookianum is a member of Lamiaceae family; mostly they are perennial shrubs and in Indian Ayurvedic system they are used in many of the herbal preparations. C. colebrookianum are distributed in tropical regions of Asia including India, Myanmar, Bangladesh, Malayasia, Indonesia, Thailand, Bhutan, Nepal and also in temperate Tibet. Since the extracts exhibited potent hepatoprotective, nephroprotective and anti-hypertensive activity, it would be amicable to identify the active phytocompounds responsible for those activities present in the extracts. In this regard, GC-MS analysis has been considered. The A total number of six (6) phytocompounds have been identified in C. colebrookianum leaves (CCL). Among the compounds, Linolenic acid, methyl ester acid and hexadecanoic acid are some of the essential fatty acids that human being requires in diet. The bioactive compounds of CCL were checked for possible interactions with several proteins playing the essential role in different metabolic pathways of humans and other major vertebrates. The proteins were chosen those have relationship with the health of the liver. These proteins acted as receptors required for molecular docking experiments. The highest binding affinity (-8.7 kcal/mol) was found between Stigmasterol and a protein with PDB ID 3I7H which is the crystal structure of DDB1 in complex with H-Box Motif of HBX. Hence, present finding could open a new door to understand the roots of several diseases and disorders facilitating new drug discovery.

Keywords

Clerodendrum colebrookianum; GC-MS; hepatoprotective; molecular docking

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