Donghong A Gao

Publications (2)10.5 Total impact

• Source

  Available from: calstatela.edu

  Article: Discovery and optimization of p38 inhibitors via computer-assisted drug design.

  Daniel R Goldberg, Ming-Hong Hao, Kevin C Qian, Alan D Swinamer, Donghong A Gao, Zhaoming Xiong, Chris Sarko, Angela Berry, John Lord, Ronald L Magolda, [......], Jeffrey B Madwed, Leslie Martin, Christopher Pargellis, Donna Skow, Jinhua J Song, Zhulin Tan, Carol A Torcellini, Clare S Zimmitti, Nathan K Yee, Neil Moss
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  ABSTRACT: Integration of computational methods, X-ray crystallography, and structure-activity relationships will be disclosed, which lead to a new class of p38 inhibitors that bind to p38 MAP kinase in a Phe out conformation.
  Journal of Medicinal Chemistry 09/2007; 50(17):4016-26. · 5.25 Impact Factor
• Article: Second-generation lymphocyte function-associated antigen-1 inhibitors: 1H-imidazo[1,2-alpha]imidazol-2-one derivatives.

  Jiang-Ping Wu, Jonathan Emeigh, Donghong A Gao, Daniel R Goldberg, Daniel Kuzmich, Clara Miao, Ian Potocki, Kevin C Qian, Ronald J Sorcek, Deborah D Jeanfavre, [......], Charline Peng, Patricia Reilly, Robert Rothlein, Rosemarie H Sellati, Joseph R Woska, Shirlynn Chen, Jocelyn A Gunn, Drane O'Brien, Stephen H Norris, Terence A Kelly
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  ABSTRACT: A novel class of lymphocyte function-associated antigen-1 (LFA-1) inhibitors is described. Discovered during the process to improve the physicochemical and metabolic properties of BIRT377 (1, Figure 1), a previously reported hydantoin-based LFA-1 inhibitor, these compounds are characterized by an imidazole-based 5,5-bicyclic scaffold, the 1,3,3-trisubstituted 1H-imidazo[1,2-alpha]imidazol-2-one (i.e. structure 3). The structure-activity relationship (SAR) shows that electron-withdrawing groups at C5 on the imidazole ring benefit potency and that oxygen-containing functional groups attached to a C5-sulfonyl or sulfonamide group further improve potency. This latter gain in potency is attributed to the interaction(s) of the functionalized sulfonyl/sulfonamide groups with the protein, likely polar-polar in nature, as suggested by SAR data. X-ray studies revealed that these bicyclic inhibitors bind to the I-domain of LFA-1 in a pattern similar to that of compound 1.
  Journal of Medicinal Chemistry 11/2004; 47(22):5356-66. · 5.25 Impact Factor