IJPR  articles are Indexed in SCOPUSClick Here     Impact Factor for Five Years is 0.13 (2013 - 2018).    

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INTERNATIONAL JOURNAL OF PHARMACEUTICAL RESEARCH

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IJPR included in UGC-Approved List of Journals - Ref. No. is SL. No. 4812 & J. No. 63703

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0975-2366
5 - Years Impact Factor

Year 2012 - 2016

Impact Factor: 1.55

Total Publications: 317

Total Citation: 491

Year 2011 - 2015

Impact Factor: 1.46

Total Publications: 326

Total Citation: 477

Year 2010 - 2014

Impact Factor: 1.3

Total Publications: 313

Total Citation: 407

Year 2009 - 2013

Impact Factor: 0.973

Total Publications: 293

Total Citation: 285

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Molecular Docking Studies Of Some Novel Furan Derivatives As Potent Inhibitors Of Staphylococcus Aureus

Author: JUDY JAYS, S MOHAN, J SARAVANAN
Abstract: With the emergence of multiple drug resistance strains of S.aureus, there is a deficiency in the treatment options available for the infections caused by these microorganisms. In attempts to develop lead antibacterial agents, especially targeting S.aureus, a series of novel furan-azetidinone hybrid compounds have been synthesized. Docking simulations were performed for the novel hybrid compounds at the active site of four antibacterial targets- Dihydrofolate reductase (PDB: 3SRW), DNA gyrase (-PDB: 5BS3), Dihydropteroate synthetase (PDB: 1AD4) and pyruvate kinase (PDB: 3T07). Molecular docking studies are capable of predicting the activity of an experimental set of compounds as they offer important information of the potential binding modes of inhibitors. This study explores the furan-azetidinone compounds as prospective inhibitors of four essential enzymes of S.aureus. The title compounds have shown good docking scores for dihydrofolate reductase enzyme of S.aureus. Molecular docking suggests that compound 4b (2-hydroxy derivative) is a prospective inhibitor of Dihyfrofolate reductase and is specific in binding at the active site of the enzyme. It forms H-bonding interaction with PHE 36 at the active site of the protein, similar to the standard drug. However the test compounds show lower docking scores against DNA gyrase, Dihydroteroate synthetase and pyruvate kinase of S.aureus signifying that they may not be effective against these bacterial proteins.
Keyword: Furan, Azetidinone, Docking, S.aureus
DOI: https://doi.org/10.31838/ijpr/2019.11.01.025
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Impact Factor for five years is 1.55 (2012 - 2016)

Year 2011 - 2015 Impact Factor - 1.46 Total Publications - 326 Total Citations - 477