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The selection of IN strand\u2010transfer drug\u2010resistant HIV strains in patients supports the development of new agents that are active as allosteric IN inhibitors. Here, a docking\u2010based virtual screening has been applied to a small library of natural ligands to identify new allosteric IN inhibitors that target the sucrose binding pocket. From theoretical studies, kuwanon\u2010L emerged as the most promising binder and was thus selected for biological studies. Biochemical studies showed that kuwanon\u2010L is able to inhibit the HIV\u20101 IN catalytic activity in the absence and in the presence of LEDGF\/p75 protein, the IN dimerization, and the IN\/LEDGF binding. Kuwanon\u2010L also inhibited HIV\u20101 replication in cell cultures. Overall, docking and biochemical results suggest that kuwanon\u2010L binds to an allosteric binding pocket and can be considered an attractive lead for the development of new allosteric IN antiviral agents.<\/jats:p>","DOI":"10.1002\/cbic.201500385","type":"journal-article","created":{"date-parts":[[2015,9,11]],"date-time":"2015-09-11T16:55:17Z","timestamp":1441990517000},"page":"2507-2512","update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":47,"title":["Kuwanon\u2010L as a New Allosteric HIV\u20101 Integrase Inhibitor: Molecular Modeling and Biological Evaluation"],"prefix":"10.1002","volume":"16","author":[{"given":"Francesca","family":"Esposito","sequence":"first","affiliation":[{"name":"Department of Life and Environmental Sciences University of Cagliari  Cittadella Universitaria di Monserrato SS 554 09042 Monserrato Cagliari 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