Design and Synthesis of Benzoic Acid Derivatives as Influenza Neuraminidase Inhibitors Using Structure-Based Drug Design 1

P Chand, YS Babu, S Bantia, N Chu…

Index: Chand, Pooran; Babu, Yarlagadda S.; Bantia, Shanta; Chu, Naiming; Cole, L. Brent; Kotian, Pravin L.; Laver, W. Graeme; Montgomery, John A.; Pathak, Ved P.; Petty, Sandra L.; Shrout, David P.; Walsh, David A.; Walsh, Gerald M. Journal of Medicinal Chemistry, 1997 , vol. 40, # 25 p. 4030 - 4052

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Citation Number: 94

Abstract

A series of 94 benzoic acid derivatives was synthesized and tested for its ability to inhibit influenza neuraminidase. The enzyme-inhibitor complex structure was determined by X-ray crystallographic analysis for compounds which inhibited the enzyme. The most potent compound tested in vitro, 5 (4-(acetylamino)-3-guanidinobenzoic acid), had an IC50= 2.5× 10-6 M against N9 neuraminidase. Compound 5 was oriented in the active site of the ...