19244-15-6Relevant academic research and scientific papers
Exploitation of Conformational Dynamics in Imparting Selective Inhibition for Related Matrix Metalloproteinases
Mahasenan, Kiran V.,Bastian, Maria,Gao, Ming,Frost, Emma,Ding, Derong,Zorina-Lichtenwalter, Katerina,Jacobs, John,Suckow, Mark A.,Schroeder, Valerie A.,Wolter, William R.,Chang, Mayland,Mobashery, Shahriar
, p. 654 - 659 (2017)
Matrix metalloproteinases (MMPs) have numerous physiological functions and share a highly similar catalytic domain. Differential dynamical information on the closely related human MMP-8, -13, and -14 was integrated onto the benzoxazinone molecular template. An in silico library of 28,099 benzoxazinones was generated and evaluated in the context of the molecular-dynamics information. This led to experimental evaluation of 19 synthesized compounds and identification of selective inhibitors, which have potential utility in delineating the physiological functions of MMPs. Moreover, the approach serves as an example of how dynamics of closely related active sites may be exploited to achieve selective inhibition by small molecules and should find applications in other enzyme families with similar active sites.
THIENOPYRIMIDINE DERIVATIVES AS POTASSIUM CHANNEL INHIBITORS
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Page 29, (2008/06/13)
The present invention provides thienopyrimidine compounds which are potasium channels inhibitors. Pharmaceutical compositions comprising the compounds and their use in the treatment of arrhythmia are also provided.
