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

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.

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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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