CINF 16 |
| Emergence of new infections is an increasing public health threat. The problem is that conventional antibiotic development is time-consuming, not very efficient and expensive. Moreover, current legal regulations require years of rigorous studies before a new antibiotic can enter the public sector. It becomes increasingly evident that such methodology doest not keep with emerging and re-emerging infections. As a partial but very rapid solution to this challenge we propose to identify established therapeutics with already approved toxicity and bioavailability properties that also exhibit sufficient activity against novel and re-emerging human pathogens. To assist such discoveries we have developed several QSAR approaches such as quantitative models of ‘Antibiotic-likeness' and ‘Bacterial-metabolite-likeness' enabling accurate recognition of antimicrobial substances from large collections of chemical structures. The developed models were able to relate several drugs from Merck database (with no antimicrobial annotation) to predicted antimicrobial action which has later been confirmed by other literature sources. |
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Drug Reprofiling
2:00 PM-5:40 PM, Sunday, August 19, 2007 BCEC -- 252 A, Oral
Division of Chemical Information |