Approaching Target Selectivity by De Novo Drug Design
作者： Thomas Fischer , Silvia Gazzola , Rainer Riedl
DOI: 10.1080/17460441.2019.1615435
关键词:
摘要: Introduction: The development of drug candidates with a defined selectivity profile and unique molecular structure is fundamental interest for discovery. In contrast to the costly screeni...
sci-hub.se 参考文章(97)
David J. Huggins, Woody Sherman, Bruce Tidor, Rational approaches to improving selectivity in drug design. Journal of Medicinal Chemistry. ,vol. 55, pp. 1424- 1444 ,(2012) , 10.1021/JM2010332
C.S Raman, Huiying Li, Pavel Martásek, Vladimir Král, Bettie Sue S Masters, Thomas L Poulos, Crystal Structure of Constitutive Endothelial Nitric Oxide Synthase Cell. ,vol. 95, pp. 939- 950 ,(1998) , 10.1016/S0092-8674(00)81718-3
Hans-Joachim B�hm, The computer program LUDI: A new method for the de novo design of enzyme inhibitors Journal of Computer-aided Molecular Design. ,vol. 6, pp. 61- 78 ,(1992) , 10.1007/BF00124387
Hans-Joachim B�hm, LUDI: rule-based automatic design of new substituents for enzyme inhibitor leads. Journal of Computer-aided Molecular Design. ,vol. 6, pp. 593- 606 ,(1992) , 10.1007/BF00126217
Gisbert Schneider, Man-Ling Lee, Martin Stahl, Petra Schneider, De novo design of molecular architectures by evolutionary assembly of drug-derived building blocks. Journal of Computer-aided Molecular Design. ,vol. 14, pp. 487- 494 ,(2000) , 10.1023/A:1008184403558
Taro Kawai, Makoto Matsumoto, Kiyoshi Takeda, Hideki Sanjo, Shizuo Akira, ZIP Kinase, a Novel Serine/Threonine Kinase Which Mediates Apoptosis Molecular and Cellular Biology. ,vol. 18, pp. 1642- 1651 ,(1998) , 10.1128/MCB.18.3.1642
Céline Simonin, Mahendra Awale, Michael Brand, Ruud van Deursen, Julian Schwartz, Michael Fine, Gergely Kovacs, Pascal Häfliger, Gergely Gyimesi, Abilashan Sithampari, Roch-Philippe Charles, Matthias A. Hediger, Jean-Louis Reymond, Optimization of TRPV6 Calcium Channel Inhibitors Using a 3D Ligand-Based Virtual Screening Method. Angewandte Chemie. ,vol. 54, pp. 14748- 14752 ,(2015) , 10.1002/ANIE.201507320
Ismail Kola, John Landis, Can the pharmaceutical industry reduce attrition rates? Nature Reviews Drug Discovery. ,vol. 3, pp. 711- 716 ,(2004) , 10.1038/NRD1470
Kamran Ghoreschi, Arian Laurence, John J O'Shea, Selectivity and therapeutic inhibition of kinases: to be or not to be? Nature Immunology. ,vol. 10, pp. 356- 360 ,(2009) , 10.1038/NI.1701
Haitao Ji, Benjamin Z. Stanton, Jotaro Igarashi, Huiying Li, Pavel Martásek, Linda J. Roman, Thomas L. Poulos, Richard B. Silverman, Minimal Pharmacophoric Elements and Fragment Hopping, an Approach Directed at Molecular Diversity and Isozyme Selectivity. Design of Selective Neuronal Nitric Oxide Synthase Inhibitors Journal of the American Chemical Society. ,vol. 130, pp. 3900- 3914 ,(2008) , 10.1021/JA0772041