Discovery of the first SecA inhibitors using structure-based virtual screening |
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Authors: | Li Minyong Huang Ying-Ju Tai Phang C Wang Binghe |
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Institution: | a Department of Chemistry and Center for Biotechnology and Drug Design, Georgia State University, Campus Box 4098, Atlanta, GA 30302-4098, USA b Department of Biology, Georgia State University, Atlanta, GA 30302-4010, USA |
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Abstract: | Bacterial protein secretion is a critical and complex process. The Sec machinery provides a major pathway for protein translocation across and integration into the cellular membrane in bacteria. Small molecule probes that perturb the functions of individual member proteins within the Sec machinery will be very important research tools as well as leads for future antimicrobial agent development. Herein we describe the discovery of inhibitors, through virtual screening, that specifically act on SecA ATPase, which is a critical member of the Sec system. These are the very first inhibitors reported for intrinsic SecA ATPase. |
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Keywords: | SecA ATPase Inhibitors Virtual screening Molecular docking |
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