81307-09-7Relevant articles and documents
SP1-independent inhibition of FOXM1 by modified thiazolidinediones
Tabatabaei Dakhili, Seyed Amirhossein,Pérez, David J.,Gopal, Keshav,Haque, Moinul,Ussher, John R.,Kashfi, Khosrow,Velázquez-Martínez, Carlos A.
, (2020/10/21)
This research article describes an approach to modify the thiazolidinedione scaffold to produce test drugs capable of binding to, and inhibit, the in vitro transcriptional activity of the oncogenic protein FOXM1. This approach allowed us to obtain FOXM1 i
Facile Synthesis of Novel Vanillin Derivatives Incorporating a Bis(2-hydroxyethyl)dithhioacetal Moiety as Antiviral Agents
Zhang, Jian,Zhao, Lei,Zhu, Chun,Wu, Zengxue,Zhang, Guoping,Gan, Xiuhai,Liu, Dengyue,Pan, Jianke,Hu, Deyu,Song, Baoan
, p. 4582 - 4588 (2017/06/20)
A series of vanillin derivatives incorporating a bis(2-hydroxyethyl)dithioacetal moiety was designed and synthesized via a facile method. A plausible reaction pathway was proposed and verified by computational studies. Bioassay results demonstrated that target compounds possessed good to excellent activities against potato virus Y (PVY) and cucumber mosaic virus (CMV), of which, compound 6f incorporating a bis(2-hydroxyethyl)dithioacetal moiety, exhibited the best curative and protection activities against PVY and CMV in vivo, with 50% effective concentration values of 217.6, 205.7 μg/mL and 206.3, 186.2 μg/mL, respectively, better than those of ribavirin (848.0, 808.1 μg/mL and 858.2, 766.5 μg/mL, respectively), dufulin (462.6, 454.8 μg/mL and 471.2, 465.4 μg/mL, respectively), and ningnanmycin (440.5, 425.3 μg/mL and 426.1, 405.3 μg/mL, respectively). Current studies provide support for the application of vanillin derivatives incorporating bis(2-hydroxyethyl)dithioacetal as new antiviral agents.
A new method for induced fit docking (genius) and its application to virtual screening of novel HCV NS3-4A protease inhibitors
Takaya, Daisuke,Yamashita, Atsuya,Kamijo, Kazue,Gomi, Junko,Ito, Masahiko,Maekawa, Shinya,Enomoto, Nobuyuki,Sakamoto, Naoya,Watanabe, Yoshiaki,Arai, Ryoichi,Umeyama, Hideaki,Honma, Teruki,Matsumoto, Takehisa,Yokoyama, Shigeyuki
experimental part, p. 6892 - 6905 (2011/12/16)
Hepatitis C virus (HCV) is an etiologic agent of chronic liver disease, and approximately 170 million people worldwide are infected with the virus. HCV NS3-4A serine protease is essential for the replication of this virus, and thus has been investigated as an attractive target for anti-HCV drugs. In this study, we developed our new induced-fit docking program (genius), and applied it to the discovery of a new class of NS3-4A protease inhibitors (IC50 = 1-10 μM including high selectivity index). The new inhibitors thus identified were modified, based on the docking models, and revealed preliminary structure-activity relationships. Moreover, the genius in silico screening performance was validated by using an enrichment factor. We believe our designed scaffold could contribute to the improvement of HCV chemotherapy.
