In-silico designing, ADMET Analysis, synthesis and biological evaluation of novel derivatives of diosmin against urease protein and Helicobactor Pylori bacterium.

CONCLUSIONS: Selected candidates from the outcome of in-vitro urease inhibitory were further examined for anti- H. pylori activity by well diffusion method against H. pylori bacterium (DSM 4867). Compound D2a showed good anti-H. Pylori activity with zone of inhibition 10.00 ± 0.00 mm and MIC value 500μg/mL as compared to standard drug acetohydroxamic acid having zone of inhibition 9.00 ± 0.50mm and MIC 1000μg/mL. In- silico studies played an important role in designing the potent ligands against urease protein as well as in explaining the binding pattern of designed and synthesized ligand within active pocket of jack bean urease protein. ADMET studies were also carried out to check the drug similarity of designed compounds by the means of quikprop module of molecular docking software. Hence, the present investigation studies will provide a new vision for the discovery of potent agents against H. pylori and urease associated diseases. PMID: 31724503 [PubMed - as supplied by publisher]
Source: Current Topics in Medicinal Chemistry - Category: Chemistry Authors: Tags: Curr Top Med Chem Source Type: research