title: Investigation of family 18 chitinases and inhibitors by computer-aided approaches.
abstract: Chitinases belong to family 18 glycosyl hydrolases that can hydrolyze chitin by cleaving β-1,4-glycosidic bond, and are at key points in the life cycles of organism. The inhibitors of chitinases not only have chemotherapeutic potential against fungi, insects, but also hold anti-inflammatory efficacy against asthma and allergic disease in human. This review summarizes the structural characters of chitinases, the proposed catalytic mechanism, furthermore, also gives descriptions of currently existing inhibitors. In addition, computational studies of the interaction modes of chitinases with different inhibitors and substrates, as well as the inhibitor design of chitinases, are summarized so as to obtain an overall understanding for chitinases.
authors.affiliation: Dalian Institute of Chemical Physics, Chinese Academy of Sciences, P.R. China.
authors.forename: Huiying
authors.initials: H
authors.lastname: Chu
authors.forename: Jinan
authors.initials: J
authors.lastname: Wang
authors.forename: Hujun
authors.initials: H
authors.lastname: Shen
authors.forename: Yongliang
authors.initials: Y
authors.lastname: Yang
authors.forename: Weiliang
authors.initials: W
authors.lastname: Zhu
authors.forename: Guohui
authors.initials: G
authors.lastname: Li
mesh_terms: D000818:Animals; D000893:Anti-Inflammatory Agents / Q000494:pharmacology; D000935:Antifungal Agents / Q000494:pharmacology; D002688:Chitinases / Q000037:antagonists & inhibitors* / Q000378:metabolism; D017076:Computer-Aided Design; D015195:Drug Design; D004791:Enzyme Inhibitors / Q000494:pharmacology*; D006801:Humans; D007306:Insecticides / Q000494:pharmacology
chemical_list: D000893:Anti-Inflammatory Agents; D000935:Antifungal Agents; D004791:Enzyme Inhibitors; D007306:Insecticides; D002688:Chitinases