Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay

Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay Publisher Pubmed

Azizian H¹ ; Bagherzadeh K² ; Shahbazi S³ ; Sharifi N³ ; Amanlou M³

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1. Department of Medicinal Chemistry, School of Pharmacy, International Campus, Iran University of Medical Sciences, Tehran, Iran
2. Razi Drug Research Center, Iran University of Medical Sciences, Tehran, Iran
3. Department of Medicinal Chemistry, Faculty of Pharmacy and Drug Design and Development Research Center, Tehran University of Medical Sciences, Tehran, Iran

Source: Interdisciplinary Sciences – Computational Life Sciences Published:2018

Abstract

Respiratory chain ubiquinol–cytochrome (cyt) c oxidoreductase (cyt bc1 or complex III) has been demonstrated as a promising target for numerous antibiotics and fungicide applications. In this study, a virtual screening of NCI diversity database was carried out in order to find novel Qo/Qi cyt bc1 complex inhibitors. Structure-based virtual screening and molecular docking methodology were employed to further screen compounds with inhibition activity against cyt bc1 complex after extensive reliability validation protocol with cross-docking method and identification of the best score functions. Subsequently, the application of rational filtering procedure over the target database resulted in the elucidation of a novel class of cyt bc1 complex potent inhibitors with comparable binding energies and biological activities to those of the standard inhibitor, antimycin. © 2017, Springer-Verlag.

Style	Citing Format
MLA	Azizian H, et al.. "Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay." Interdisciplinary Sciences – Computational Life Sciences, vol. 10, no. 4, 2018, pp. 781-791.
APA	Azizian H, Bagherzadeh K, Shahbazi S, Sharifi N, Amanlou M (2018). Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay. Interdisciplinary Sciences – Computational Life Sciences, 10(4), 781-791.
Chicago	Azizian H, Bagherzadeh K, Shahbazi S, Sharifi N, Amanlou M. "Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay." Interdisciplinary Sciences – Computational Life Sciences 10, no. 4 (2018): 781-791.
Harvard	Azizian H et al. (2018) 'Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay', Interdisciplinary Sciences – Computational Life Sciences, 10(4), pp. 781-791.
Vancouver	Azizian H, Bagherzadeh K, Shahbazi S, Sharifi N, Amanlou M. Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay. Interdisciplinary Sciences – Computational Life Sciences. 2018;10(4):781-791.
BibTex	@article{ author = {Azizian H and Bagherzadeh K and Shahbazi S and Sharifi N and Amanlou M}, title = {Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay}, journal = {Interdisciplinary Sciences – Computational Life Sciences}, volume = {10}, number = {4}, pages = {781-791}, year = {2018} }
RIS	TY - JOUR AU - Azizian H AU - Bagherzadeh K AU - Shahbazi S AU - Sharifi N AU - Amanlou M TI - Identification of a New Isoindole-2-Yl Scaffold As a Qo and Qi Dual Inhibitor of Cytochrome Bc 1 Complex: Virtual Screening, Synthesis, and Biochemical Assay JO - Interdisciplinary Sciences – Computational Life Sciences VL - 10 IS - 4 SP - 781 EP - 791 PY - 2018 ER -

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