Structure-Activity Relationships and Rational Design Strategies for Radical- Scavenging Antioxidants

Author(s): Hong-Yu ZhangPages 257-273 (17) Abstract: In the past two decades, there has been growing interest in finding novel and non-toxic antioxidants to meet the requirements in chemical, food and pharmaceutical industries. To accelerate the antioxidant discovery process, various theoretical methods have been employed to investigate the structure-activity relationships of antioxidants. Accordingly, some rational-design strategies for antioxidants have been proposed and applied in practice. This review summarizes the current knowledge on...

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Discovery of Potent Anti-SARS-CoV MPro Inhibitors

Author(s): Suzanne Sirois, Rui Zhang, Weina Gao, Hui Gao, Yun Li, Huiqin Zheng and Dong-Qing WeiPages 191-200 (10) Abstract: SARS is a viral respiratory illness caused by a previously unrecognized coronavirus, called SARS-associated coronavirus (SARS-CoV). Because of the potential for a rapid spread of the disease, it is vitally important to identify drugs that effectively inhibit a known target of the SARS coronavirus. Because of its essential role in proteolytic processing, the main protease MPro, a cysteine protease, is considered an attractive...

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Structure-Guided Design of Antibodies

Author(s): Justin A. Caravella, Deping Wang, Scott M. Glaser and Alexey LugovskoyPages 128-138 (11) Abstract: Monoclonal antibodies capable of recognizing antigens with high affinity and specificity represent a wellestablished class of biological agents. Since the development of hybridoma technology in 1975, advances in recombinant DNA technologies and computational and biophysical methods have allowed us to develop a better understanding of the relationships between antibody sequence, structure, and function. These advances enable us to manipulate...

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Antiprotozoal Nitazoxanide Derivatives: Synthesis, Bioassays and QSAR Study Combined with Docking for Mechanistic Insight

Author(s): Thomas Scior, Jorge Lozano-Aponte, Subhash Ajmani, Eduardo Hernández-Montero, Fabiola Chávez-Silva, Emanuel Hernández-Núñez, Rosa Moo-Puc, Andres Fraguela-Collar and Gabriel Navarrete-VázquezPages 21-31 (11) Abstract: In view of the serious health problems concerning infectious diseases in heavily populated areas, we followed the strategy of lead compound diversification to evaluate the near-by chemical space for new organic compounds. To this end, twenty derivatives of nitazoxanide (NTZ) were synthesized and tested for activity against...

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Current Status of Computer-Aided Drug Design for Type 2 Diabetes

Author(s): Shabana Bibi and Katsumi SakataPages 167-177 (11) Abstract: Background: Diabetes is a metabolic disorder that requires multiple therapeutic approaches. The pancreas loses its functionality to properly produce the insulin hormone in patients with diabetes mellitus. In 2012, more than one million people worldwide died as a result of diabetes, which was the eighth leading cause of death. Objective: Most drugs currently available...

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