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Article

Proteochemometric model for predicting the inhibition of penicillin-binding proteins.

Journal of computer-aided molecular design - 1 Feb 2015

Nabu Sunanta, Nantasenamat Chanin, Owasirikul Wiwat, Lawung Ratana, Isarankura-Na-Ayudhya Chartchalerm, Lapins Maris, Wikberg Jarl E S, Prachayasittikul Virapong

Abstract excerpt

Neisseria gonorrhoeae infection threatens to become an untreatable sexually transmitted disease in the near future owing to the increasing emergence of N. gonorrhoeae strains with reduced susceptibility and resistance to the extended-spectrum cephalosporins (ESCs), i.e. ceftriaxone and cefixime, which are the last remaining option for first-line treatment of gonorrhea. Alteration of the penA gene, encoding...

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PMID: 25344841
DOI: 10.1007/s10822-014-9809-0

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