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Alignment-independent QSAR analysis of SecA inhibitors
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نویسنده
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xu m. ,bi y. ,zhu m. ,li m.
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منبع
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protein and peptide letters - 2013 - دوره : 20 - شماره : 7 - صفحه:802 -807
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چکیده
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Seca atpase plays a crucial role in translocation of membrane and secreted polypeptides and proteins in bacteria and therefore a perfect target for novel antimicrobial drug design. herein,we generated qsar models with an alignment-independent method. the optimum model obtained for the training set was statistically significant with crossvalidation regression coefficient (q2) value of 0.40 and correlation coefficient (r2) value of 0.89. these results suggest that this 3d-qsar model can be used to guide the development of new seca inhibitors. © 2013 bentham science publishers.
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کلیدواژه
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3D-QSAR; Antimicrobial drug; Inhibitors; SecA ATPase
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آدرس
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emergency department,jiangxi provincial general hospital,chinese people's armed police forces,nanchang, China, department of medicinal chemistry,key laboratory of chemical biology of natural products (moe),shandong university,jinan, China, department of medicinal chemistry,key laboratory of chemical biology of natural products (moe),shandong university,jinan, China, department of medicinal chemistry,key laboratory of chemical biology of natural products (moe),shandong university,jinan, China
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Authors
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