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Biological and In silico Evaluation of Quinolinedione and Naphthoquinone Derivatives as Potent Antibacterial Agents

2017; Wiley; Volume: 2; Issue: 28 Linguagem: Inglês

10.1002/slct.201700692

2365-6549

Samuel Attah Egu, Akachukwu Ibezim, Efeturi A. Onoabedje, Uchechukwu Chris Okoro,

Synthesis and biological activity

ChemistrySelectVolume 2, Issue 28 p. 9222-9226 Full Paper Biological and In silico Evaluation of Quinolinedione and Naphthoquinone Derivatives as Potent Antibacterial Agents Dr. Samuel A. Egu, Corresponding Author Dr. Samuel A. Egu attahegu@gmail.com Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this authorAkachukwu Ibezim, Corresponding Author Akachukwu Ibezim akachukwu.ibezim@unn.edu.ng Department of Medicinal and Pharmaceutical Chemistry, University of Nigeria, Nsukka, Nigeria Skaggs School of Pharmacy and Pharmaceutical Sciences, Center for Discovery and Innovation in Parasitic Diseases, University of California, San Diego, 9500 Gilman Drive, PSB 4262, La Jolla, CA, 92093 USASearch for more papers by this authorDr. Efeturi A. Onoabedje, Corresponding Author Dr. Efeturi A. Onoabedje efeturi.onoabedje@unn.edu.ng Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this authorProf. Uchechukwu C. Okoro, Prof. Uchechukwu C. Okoro Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this author Dr. Samuel A. Egu, Corresponding Author Dr. Samuel A. Egu attahegu@gmail.com Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this authorAkachukwu Ibezim, Corresponding Author Akachukwu Ibezim akachukwu.ibezim@unn.edu.ng Department of Medicinal and Pharmaceutical Chemistry, University of Nigeria, Nsukka, Nigeria Skaggs School of Pharmacy and Pharmaceutical Sciences, Center for Discovery and Innovation in Parasitic Diseases, University of California, San Diego, 9500 Gilman Drive, PSB 4262, La Jolla, CA, 92093 USASearch for more papers by this authorDr. Efeturi A. Onoabedje, Corresponding Author Dr. Efeturi A. Onoabedje efeturi.onoabedje@unn.edu.ng Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this authorProf. Uchechukwu C. Okoro, Prof. Uchechukwu C. Okoro Department of Pure and Industrial Chemistry, University of Nigeria, Nsukka, NigeriaSearch for more papers by this author First published: 09 October 2017 https://doi.org/10.1002/slct.201700692Citations: 7Read the full textAboutPDF ToolsRequest permissionExport citationAdd to favoritesTrack citation ShareShare Give accessShare full text accessShare full-text accessPlease review our Terms and Conditions of Use and check box below to share full-text version of article.I have read and accept the Wiley Online Library Terms and Conditions of UseShareable LinkUse the link below to share a full-text version of this article with your friends and colleagues. Learn more.Copy URL Share a linkShare onFacebookTwitterLinkedInRedditWechat Graphical Abstract The recent cases of drug resistance have necessitated continuous search for NEW and IMPROVED antibiotic agents. Herein, we provide, using Lipinski's rule of five among others drug-like compounds as potential antibiotic agents. Abstract Quinolinequinones (Qq) and naphthoquinones (Nq) are known for their broad spectrum of biological activities and computational techniques are now used in drug research because of they are cost and time effective. In the present study, a series of anilino and aryl derivatives of quinolinequinone showed potency against a Gram negative and positive bacteria (Escherichia coli and Staphylococcus aureaus respectively) at MIC range of 1.6-25 mg/ml. Four out of twenty-four compounds inhibited both studied bacteria at MIC (1.6-12.5 mg/ml) lower than used standard drug – ampicillin (20-23 mg/ml). Docking studies showed that the four compounds demonstrated affinity for penicillin binding protein (-4.24 to −4.49 Kcal/mol) over ampicillin (-2.32 Kcal/mol). The similarity between docking and in vitro testing suggests inhibition of the protein as the mechanism of the compounds’ bactericidal action. The binding poses of the compounds within the binding site of the protein revealed unique interactions with the active site residues. Conflict of interest The authors declare no conflict of interest. Citing Literature Supporting Information As a service to our authors and readers, this journal provides supporting information supplied by the authors. Such materials are peer reviewed and may be re-organized for online delivery, but are not copy-edited or typeset. Technical support issues arising from supporting information (other than missing files) should be addressed to the authors. Filename Description slct201700692-sup-0001-misc_information.pdf104.2 KB Supplementary Please note: The publisher is not responsible for the content or functionality of any supporting information supplied by the authors. Any queries (other than missing content) should be directed to the corresponding author for the article. Volume2, Issue28September 29, 2017Pages 9222-9226 RelatedInformation