JOURNAL OF PHARMACOLOGY AND
BIOMEDICINE
ISSN.2456-8244
Lawsonia inermis is a prominent medicinal herb used for treat- ment of diabetes mellitus. The study aimed at evaluating the anti- oxidant, antidiabetic and protective properties of different solvent extracts of Lawsonia inermis on sodium nitroprusside (SNP) - in- duced oxidative damage on isolated pancreas. The results showed that the all the extracts possess antioxidant, antidiabetic and protective property against SNP –induced oxidative damage in pancreas. Acetone extract has the highest activities, followed by methanol extract and aqueous extract. The HPLC (DAD) analysis revealed several bioactive compounds from the different solvent extracts of Lawsonia inermis. Docking simulation of the phyto- chemicals detected in these extracts with human pancreatic α- amylase (HPA) and human α-glucosidase (HG) showed good bind- ing affinity and amino acid interactions with the active sites of enzymes. Given the roles of key residues that define the active site of HPA (ASP197, GLU233 and ASP300), the interactions of Lawsonia compounds with these amino acids may hamper the ac- tion of ASP197 as a nucleophile, GLU233 which participate in the acid–base catalysis and that of ASP300 which helps in the proper orientation of the polymeric substrate. Assessment of the stability of the ligand-protein complexes through a 50-ns full at- omistic MD simulation alongside the unbound enzyme revealed the stability of the complexes as indicated by the RMSD, RMSF, RoG, SASA and number of hydrogen bonds. This study revealed the antioxidant and antidiabetic activity of solvent extracts of Lawsonia inermis and provided insight into the mechanism of ac- tion insilico.
NAMES:
ONLINE ISSN:2456-8244
Keywords: Solvent extraction, Docking simulation, Human pancreatic α- amylase, Human α-glucosidase , Lawsonia inermis
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