Drug resistance is one of the major concerns for antimicrobial chemotherapy against any particular target. Knowledge of the primary structure of antimicrobial agents and their activities is essential for rational drug...Drug resistance is one of the major concerns for antimicrobial chemotherapy against any particular target. Knowledge of the primary structure of antimicrobial agents and their activities is essential for rational drug design. Thus, we developed a comprehensive database, anti microbial drug database （AMDD）, of known synthetic antibacterial and antifungal compounds that were extracted from the avail- able literature and other chemical databases, e.g., PubChem, PubChem BioAssay and ZINC, etc. The current version of AMDD con- tains -2900 antibacterial and -1200 antifungal compounds. The molecules are annotated with properties such as description, target, format, bioassay, molecular weight, hydrogen bond donor, hydrogen bond acceptor and rotatable bond. The availability of these anti- microbial agents on common platform not only provides useful information but also facilitate the virtual screening process, thus saving time and overcoming difficulties in selecting specific type of inhibitors for the specific targets. AMDD may provide a more effective and efficient way of accessing antimicrobial compounds based on their properties along with the links to their structure and bioassay. All the compounds are freely available at the advanced web-based search interface http：//www.amddatabase.info.展开更多
基金supported by internal funds of Biotechnology Unit, AMU and DBT (Grant No. BT/PR11453/BID/07/296/2009, awarded to AUK)
文摘Drug resistance is one of the major concerns for antimicrobial chemotherapy against any particular target. Knowledge of the primary structure of antimicrobial agents and their activities is essential for rational drug design. Thus, we developed a comprehensive database, anti microbial drug database （AMDD）, of known synthetic antibacterial and antifungal compounds that were extracted from the avail- able literature and other chemical databases, e.g., PubChem, PubChem BioAssay and ZINC, etc. The current version of AMDD con- tains -2900 antibacterial and -1200 antifungal compounds. The molecules are annotated with properties such as description, target, format, bioassay, molecular weight, hydrogen bond donor, hydrogen bond acceptor and rotatable bond. The availability of these anti- microbial agents on common platform not only provides useful information but also facilitate the virtual screening process, thus saving time and overcoming difficulties in selecting specific type of inhibitors for the specific targets. AMDD may provide a more effective and efficient way of accessing antimicrobial compounds based on their properties along with the links to their structure and bioassay. All the compounds are freely available at the advanced web-based search interface http：//www.amddatabase.info.
