837369-46-7Relevant academic research and scientific papers
Baicalein derivative as well as preparation method and application thereof (by machine translation)
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, (2020/05/05)
The invention discloses a baicalein derivative, structure as shown in the specification : In-flight, R1 A hydrogen, alkyl, is substituted or unsubstituted aryl ;R. 2 The hydrogen, halogen, alkyl, alkoxy, may be substituted or unsubst
DARC: Mapping Surface Topography by Ray-Casting for Effective Virtual Screening at Protein Interaction Sites
Gowthaman, Ragul,Miller, Sven A.,Rogers, Steven,Khowsathit, Jittasak,Lan, Lan,Bai, Nan,Johnson, David K.,Liu, Chunjing,Xu, Liang,Anbanandam, Asokan,Aubé, Jeffrey,Roy, Anuradha,Karanicolas, John
supporting information, p. 4152 - 4170 (2016/06/01)
Protein-protein interactions represent an exciting and challenging target class for therapeutic intervention using small molecules. Protein interaction sites are often devoid of the deep surface pockets presented by "traditional" drug targets, and crystal structures reveal that inhibitors typically engage these sites using very shallow binding modes. As a consequence, modern virtual screening tools developed to identify inhibitors of traditional drug targets do not perform as well when they are instead deployed at protein interaction sites. To address the need for novel inhibitors of important protein interactions, here we introduce an alternate docking strategy specifically designed for this regime. Our method, termed DARC (Docking Approach using Ray-Casting), matches the topography of a surface pocket "observed" from within the protein to the topography "observed" when viewing a potential ligand from the same vantage point. We applied DARC to carry out a virtual screen against the protein interaction site of human antiapoptotic protein Mcl-1 and found that four of the top-scoring 21 compounds showed clear inhibition in a biochemical assay. The Ki values for these compounds ranged from 1.2 to 21 μM, and each had ligand efficiency comparable to promising small-molecule inhibitors of other protein-protein interactions. These hit compounds do not resemble the natural (protein) binding partner of Mcl-1, nor do they resemble any known inhibitors of Mcl-1. Our results thus demonstrate the utility of DARC for identifying novel inhibitors of protein-protein interactions.
Flavone Derivatives and Anti-Cancer Agents Comprising the Same
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Paragraph 0180; 0188-0190, (2016/10/20)
Provided in the present invention is a flavon derivative having excellent anti-cancer activity, a manufacturing method thereof, and an anti-cancer composition including the same as an active component.
COMPOSITION AND METHOD FOR TREATING OR PREVENTING INFLUENZA VIRUS INFECTION
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Paragraph 0046, (2015/12/23)
The present invention provides a pharmaceutical composition and method for treating or preventing influenza virus infection in a subject comprising administering the subject with a pharmaceutical composition comprising a pharmaceutically acceptable carrier and a therapeutically effective amount of compounds provided in this invention. In addition, the prevent invention provides new compounds for treating or preventing influenza virus infection.
Synthesis and anticancer activities of 5,6,7-trimethylbaicalein derivatives
Liao, Hua-Lin,Hu, Ming-Kuan
, p. 1162 - 1165 (2007/10/03)
The aim of this study was to develop potential anticancer agents based on a naturally occurring baicalein, a flavonoid from Scatellariae radix. Cinnamic acid derivatives were converted to corresponding chlorides and then condensed with 3,4,5-trimethoxyphe
