Acridine-based (thio)semicarbazones and hydrazones: Synthesis, in vitro urease inhibition, molecular docking and in-silico ADME evaluation
[Display omitted] •Synthesis of acridine-based (thio)semicarbazones and hydrazones.•Screening as urease inhibitors.•Molecular docking and in-silico ADME evaluation. Urease is a bacterial enzyme that is responsible for virulence of various pathogenic bacteria such as Staphylococcus aureus, Proteus mi...
Saved in:
Published in | Bioorganic chemistry Vol. 82; pp. 6 - 16 |
---|---|
Main Authors | , , , , , , , |
Format | Journal Article |
Language | English |
Published |
SAN DIEGO
Elsevier Inc
01.02.2019
Elsevier |
Subjects | |
Online Access | Get full text |
Cover
Loading…
Summary: | [Display omitted]
•Synthesis of acridine-based (thio)semicarbazones and hydrazones.•Screening as urease inhibitors.•Molecular docking and in-silico ADME evaluation.
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. |
---|---|
Bibliography: | ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23 |
ISSN: | 0045-2068 1090-2120 |
DOI: | 10.1016/j.bioorg.2018.09.032 |