Zobrazeno 1 - 10
of 27
pro vyhledávání: '"Clayton Springer"'
Autor:
Clayton Springer, Kwabena Ofori-Atta
We present a model for estimating the price of a reagent from its chemical structure. It is intended to be useful when doing reagent selection for library design. The model is a Random Forest regressor which is trained on the MolPort catalog of 302K
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::d726f0fd3db5c6f8ae9df02ddda74bd9
https://doi.org/10.26434/chemrxiv.14233103.v1
https://doi.org/10.26434/chemrxiv.14233103.v1
Autor:
Yuji Mishina, Jianling Wang, Choi-Lai Tiong-Yip, He Guo, Noel Marie-France Thomsen, Jill Nunez, Franco Lombardo, Clayton Springer, Jason Baird, L. Alex Gaither, John D. Norris, Sunkyu Kim, Brant Firestone, Stefan Peukert, Kaitlin J. Macchi, Donald P. McDonnell, Tinya Abrams, Chunrong Wang, Bing Yu, Lawrence G. Hamann, Yingchuan Sun, Burks Heather Elizabeth, Christina A. Kirby, George Scott Tria
Publikováno v:
Journal of Medicinal Chemistry. 61:2837-2864
In breast cancer, estrogen receptor alpha (ERα) positive cancer accounts for approximately 74% of all diagnoses, and in these settings, it is a primary driver of cell proliferation. Treatment of ERα positive breast cancer has long relied on endocri
Publikováno v:
Current Topics in Medicinal Chemistry. 14:855-864
In recent years, several new fluorinated functional groups have been employed in medicinal chemistry. This review will highlight some recent developments in this area. We draw attention to useful synthetic advances for the installation of fluorine-co
Autor:
Olivier Rogel, Tommasi Ruben A, J. R. Doughty, James Fang, Robert Goldstein, Raviraj Kulathila, Clayton Springer, Kirk Clark, Vishwas Ganu, Sven Weiler, Lijuan Zhu, Mark Chambers, Marc Walker, Stacey LaVoie, Jonathan E. Grob, Leslie Wighton Mcquire, Michael Shultz, Ronald L. Goldberg, Richard Melton, William Macchia, Jing Zhang
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 21:6440-6445
The matrix metalloproteinase enzyme MMP-13 plays a key role in the degradation of type II collagen in cartilage and bone in osteoarthritis (OA). An effective MMP-13 inhibitor would provide a disease modifying therapy for the treatment of arthritis, a
Autor:
Clive Aldcroft, Zhengjin Jiang, Penny Wright, David Porter, Ian Clemens, Clayton Springer, Simon J. Watson, Robin Alec Fairhurst, Donnya Etheridge, Brian Everatt, Neil John Press, Brian Cox, John Reilly
Publikováno v:
Journal of Liquid Chromatography & Related Technologies. 34:317-327
A HPLC gradient methodology using immobilized human serum albumin (HSA) and rat serum albumin (RSA) has been used as a tool to investigate the protein binding trends of novel discovery compounds. These methods have been set up to support a high throu
Autor:
Qian Liu, Chun Zhang, Chang Rao, Jie Shi, Dean F. Rigel, Gary Michael Ksander, Chii-Whei Hu, Clayton Springer, Sherri Smith, Jennifer Leung-Chu, Guiqing Liang, Erik Meredith, Rajeshri Ganesh Karki, Dan LaSala, Arco Y. Jeng, Christopher M. Adams
Publikováno v:
Bioorganic & Medicinal Chemistry Letters. 20:4324-4327
Aldosterone, the final component of the renin-angiotensin-aldosterone system, plays an important role in the pathophysiology of hypertension and congestive heart failure. Aldosterone synthase (CYP11B2) catalyzes the last three steps of aldosterone bi
Autor:
Jie Shi, Vinayak Hosagrahara, Keith A. Koch, Lihua Yang, Dillon Phan, Hansjoerg Lehmann, Ophelia Ardayfio, Olga Rozhitskaya, Sarah Siska, Maurice Van Eis, Ming Qian, Taeyoung Yoon, Timothy A. McKinsey, Kimberly Beattie, Craig F. Plato, Lauren G. Monovich, Clayton Springer, Margaret R. Pancost, Anup Patnaik, Erik Meredith, Ji-Hu Zhang, Istvan J. Enyedy, Anette Von Matt, Vasumathy Rajaraman, Richard B. Vega, Wendy Lee, Nikos Pagratis, Karl Miranda, Christoph Gaul, Markus Dobler, Chang Rao, Thomas Ruppen, Na Zhu, Charles F. Jewell
Publikováno v:
Journal of Medicinal Chemistry. 53:5400-5421
A novel 2,6-naphthyridine was identified by high throughput screen (HTS) as a dual protein kinase C/D (PKC/PKD) inhibitor. PKD inhibition in the heart was proposed as a potential antihypertrophic mechanism with application as a heart failure therapy.
Autor:
Chang Rao, Vinayak Hosagrahara, Robin Burgis, Richard B. Vega, Erik Meredith, Craig F. Plato, Nicolas Soldermann, Gabriel G. Gamber, Clayton Springer, David B. Hood, Joseph Chapo, Michael Paul Capparelli, Lauren G. Monovich, Istvan J. Enyedy, Qingming Zhu, Keith A. Koch, Dillon Phan, Dipietro Lucian, Olga Rozhitskaya, Timothy A. McKinsey, Kimberly Beattie, Maurice Van Eis, Nikos Pagratis, Karl Miranda, Wendy Lee, Wanlin Yan, Douglas D. Lemon, Charles F. Jewell
Publikováno v:
Journal of Medicinal Chemistry. 53:5422-5438
The synthesis and biological evaluation of potent and selective PKD inhibitors are described herein. The compounds described in the present study selectively inhibit PKD among other putative HDAC kinases. The PKD inhibitors of the present study blunt
Autor:
José S. Duca, Mateusz Maciejewski, Haoran Wang, Gabriel Helmlinger, Jeremy M. Beck, Qi-Ying Hu, Ramy Farid, Sarita Yeola, Steven Whitebread, Clayton Springer, K. Andrew MacCannell, Robert A. Pearlstein, Laszlo Urban, William Egan, Gul Erdemli
Publikováno v:
Current topics in medicinal chemistry. 16(16)
Blockade of the hERG potassium channel prolongs the ventricular action potential (AP) and QT interval, and triggers early after depolarizations (EADs) and torsade de pointes (TdP) arrhythmia. Opinions differ as to the causal relationship between hERG
Autor:
Mitsunori Kato, Maxim Totrov, Richard A. Lewis, Peter Gedeck, Scott A. Biller, Eric J. Martin, Lewis Whitehead, Brian Edward Vash, Clayton Springer, Katrin Spiegel, Donovan N. Chin, John H. Van Drie, Tommasi Ruben A, Yongjin Xu, Takanori Kanazawa, Peter Hunt, Valery Polyakov, Christoph L. Buenemann, Mika Lindvall, Nikolaus Stiefl, Eugene Raush, Ruben Abagyan
Publikováno v:
Journal of chemical information and modeling. 55(4)
Communication of data and ideas within a medicinal chemistry project on a global as well as local level is a crucial aspect in the drug design cycle. Over a time frame of eight years, we built and optimized FOCUS, a platform to produce, visualize, an