Journal ArticleDOI
Discovery of novel [1,2,4]triazolo[4,3-a]quinoxaline aminophenyl derivatives as BET inhibitors for cancer treatment.
TLDR
The substantial antiproliferative activities in human cancer cell lines, promising drug-like properties, and the selectivity for the BET family make the lead compound as a novel BRD4 inhibitor motif for anti-cancer drug discovery.About:
This article is published in Bioorganic & Medicinal Chemistry Letters.The article was published on 2017-10-15. It has received 25 citations till now. The article focuses on the topics: Drug discovery.read more
Citations
More filters
Journal ArticleDOI
Design, Synthesis and Cytotoxic Evaluation of Novel Chalcone Derivatives Bearing Triazolo[4,3-a]-quinoxaline Moieties as Potent Anticancer Agents with Dual EGFR Kinase and Tubulin Polymerization Inhibitory Effects
Mohamed Alswah,Ashraf H. Bayoumi,Kamal M. El-Gamal,Kamal M. El-Gamal,Ahmed El-Morsy,Saleh Ihmaid,Hany E. A. Ahmed +6 more
TL;DR: A series of hybrid of triazoloquinoxaline-chalcone derivatives 7a–k were designed, synthesized, fully characterized, and evaluated for their cytotoxic activity against three target cell lines, showing significant antiproliferative effects against most of the cell lines.
Journal ArticleDOI
Synthesis and Pesticidal Activities of New Quinoxalines
Xing-Hai Liu,Yu Wei,Li-Jing Min,David E. Wedge,Cheng-Xia Tan,Jian-Quan Weng,Wu Hongke,Charles L. Cantrell,Joanna Bajsa-Hirschel,Xuewen Hua,Stephen O. Duke +10 more
TL;DR: In this article, seven novel quinoxaline derivatives were designed and synthesized via three steps, and they had herbicidal, fungicidal, and insecticidal activities. But none of them had insecticidal capability.
Journal ArticleDOI
Computer-Aided Drug Design in Epigenetics
TL;DR: A brief overview of major computational methods reported in the literature including druggability prediction, virtual screening, homology modeling, scaffold hopping, pharmacophore modeling, molecular dynamics simulations, quantum chemistry calculation, and 3D quantitative structure activity relationship that have been successfully applied in the design and discovery of epi-drugs and epI-probes are made.
Journal ArticleDOI
Nanomolar-Potency 1,2,4-Triazoloquinoxaline Inhibitors of the Kidney Urea Transporter UT-A1.
TL;DR: The discovery of 1,2,4-triazoloquinoxalines and the analysis of 37 synthesized analogues are reported, which have substantially improved UT-A1 inhibition potency and metabolic stability compared with prior compounds.
Journal ArticleDOI
Design, synthesis and biological evaluation of novel 4,5-dihydro-[1,2,4]triazolo[4,3-f]pteridine derivatives as potential BRD4 inhibitors.
Xinzhou Bi,Jieming Li,Jiuhui Li,Wei Shi,Yuxuan Dai,Qifei Li,Wenjie Zhang,Wenlong Huang,Hai Qian,Cheng Jiang +9 more
TL;DR: These novel selective BRD4 inhibitors provided new lead compounds for further drug development and induced apoptosis by down-regulating c-Myc.
References
More filters
Journal ArticleDOI
Selective inhibition of BET bromodomains.
Panagis Filippakopoulos,Jun Qi,Sarah Picaud,Yao Shen,William B. Smith,Oleg Fedorov,Elizabeth M. Morse,T. Keates,Tyler T. Hickman,I. Felletar,Martin Philpott,Shonagh Munro,Michael R. McKeown,Yuchuan Wang,Amanda L. Christie,Nathan West,Michael J. Cameron,Brian E. Schwartz,Tom D. Heightman,Nicholas B. La Thangue,Christopher A. French,Olaf Wiest,Andrew L. Kung,Stefan Knapp,Stefan Knapp,James E. Bradner +25 more
TL;DR: A cell-permeable small molecule (JQ1) that binds competitively to acetyl-lysine recognition motifs, or bromodomains is reported, establishing proof-of-concept for targeting protein–protein interactions of epigenetic ‘readers’, and providing a versatile chemical scaffold for the development of chemical probes more broadly throughout the b romodomain family.
Journal ArticleDOI
ZINC - A Free Database of Commercially Available Compounds for Virtual Screening
John J. Irwin,Brian K. Shoichet +1 more
TL;DR: This paper has prepared a library of 727,842 molecules, each with 3D structure, using catalogs of compounds from vendors, and hopes that this database will bring virtual screening libraries to a wide community of structural biologists and medicinal chemists.
Journal ArticleDOI
RNAi screen identifies Brd4 as a therapeutic target in acute myeloid leukaemia
Johannes Zuber,Junwei Shi,Junwei Shi,Eric Wang,Amy R. Rappaport,Amy R. Rappaport,Harald Herrmann,Edward Allan R. Sison,Daniel Magoon,Jun Qi,Katharina Blatt,Mark Wunderlich,Meredith J. Taylor,Christopher Johns,Agustin Chicas,James C. Mulloy,Scott C. Kogan,Patrick Brown,Peter Valent,James E. Bradner,Scott W. Lowe,Scott W. Lowe,Scott W. Lowe,Christopher R. Vakoc +23 more
TL;DR: The results establish small-molecule inhibition of Brd4 as a promising therapeutic strategy in AML and, potentially, other cancers, and highlight the utility of RNA interference screening for revealing epigenetic vulnerabilities that can be exploited for direct pharmacological intervention.
Journal ArticleDOI
Suppression of inflammation by a synthetic histone mimic
Edwige Nicodeme,Kate L. Jeffrey,Uwe Schaefer,Soren Beinke,Scott Dewell,Chun-wa Chung,Rohit Chandwani,Ivan Marazzi,Paul A. Wilson,Hervé Coste,Julia H. White,Jorge Kirilovsky,Charles M. Rice,Jose M. Lora,Rab K. Prinjha,Kevin Lee,Alexander Tarakhovsky +16 more
TL;DR: A synthetic compound (I-BET) is described that by ‘mimicking’ acetylated histones disrupts chromatin complexes responsible for the expression of key inflammatory genes in activated macrophages, and confers protection against lipopolysaccharide-induced endotoxic shock and bacteria-induced sepsis.