Acridine-based (thio)semicarbazones and hydrazones: Synthesis, in vitro urease inhibition, molecular docking and in-silico ADME evaluation.
Acridine-based (thio)semicarbazones and hydrazones: Synthesis, in vitro urease inhibition, molecular docking and in-silico ADME evaluation.
Bioorg Chem. 2018 Sep 22;82:6-16
Authors: Isaac IO, Al-Rashida M, Rahman SU, Alharthy RD, Asari A, Hameed A, Khan KM, Iqbal J
Abstract
Urease is a bacterial enzyme that is responsible for virulence of various pathogenic bacteria such as Staphylococcus aureus, Proteus mirabilis, Klebsiella pneumoniae, Ureaplasma urealyticum, Helicobacter pylori and Mycobacterium tuberculosis. Increased urease activity aids in survival and colonization of pathogenic bacteria causing several disorders especially gastric ulceration. Hence, urease inhibitors are used for treatment of such diseases. In search of new molecules with better urease inhibitory activity, herein we report a series of acridine derived (thio)semicarbazones (4a-4e, 6a-6l) that were found to be active against urease enzyme. Molecular docking studies were carried out to better comprehend the preferential mode of binding of these compounds against urease enzyme. Docking against urease from pathogenic bacterium S. pasteurii was also carried out with favorable results. In silico ADME evaluation was done to determine drug likeness of synthesized compounds.
PMID: 30267972 [PubMed - as supplied by publisher]
Source: Bioorganic Chemistry - Category: Chemistry Authors: Isaac IO, Al-Rashida M, Rahman SU, Alharthy RD, Asari A, Hameed A, Khan KM, Iqbal J Tags: Bioorg Chem Source Type: research
More News: Chemistry | Gastroenterology | Helicobacter Pylori | HIV AIDS | Staphylococcus Aureus | Study | Tuberculosis