![]() Ogilvieĭevelopment of (4-Cyanophenyl)glycine Derivatives as Reversible Inhibitors of Lysine Specific Demethylase 1ĭaniel P. ![]() Thiazolidine derivatives as potent and selective inhibitors of the PIM kinase familyĬarole J.R.Bataille, Méabh B.Brennan, Simon Byrne, Stephen G.Davies, MatthewDurbin, Oleg Fedorov, Kilian V.M.Huber, Alan M.Jones, StefanKnapp, GuLiuaAnnaNadali, Camilo E.Quevedo, Angela J.Russell, Roderick G.Walker, RobertWestwood, Graham M.WynneģD-QSAR studies on Maslinic acid analogs for Anticancer activity against Breast Cancer cell line MCF-7ĭevelopment and evaluation of 4-(pyrrolidin-3-yl)benzonitrile derivatives as inhibitors of lysine specific demethylase 1ĭaniel P. Giuseppe Floresta, Antonio Rescifina, Agostino Marrazzo, Maria Dichiara, Venerando Pistarà, Valeria Pittalà, Orazio Prezzavento, Emanuele Amata Hyphenated 3D-QSAR statistical model-scaffold hopping analysis for the identification of potentially potent and selective sigma-2 receptor ligands Giuseppe Floresta, Emanuele Amata, Maria Dichiara, Agostino Marrazzo, Loredana Salerno, Giuseppe Romeo, Orazio Prezzavento, Valeria Pittala,Antonio Rescifina Identification of potentially potent Heme Oxygenase 1 inhibitors through 3D-QSAR coupled to scaffold hopping analysis Taddei, Elodie Ravier, Stephanie Barlow, Iain Miller, Vanessa Smith, Alan D. Hanwei Huang, Hailun Jiang, Xiangyu Zhang, Wei Li, Pengliang Wang, Funan Liu, Jian Wang, Mingfeng Bai and Maosheng Chengĭesign and synthesis of a potent, highly selective, orally bioavailable, retinoic acid receptor alpha agonistĮarl Clarke, Christopher I. María José Ojeda‐Montes, Aleix Gimeno, Sarah Tomas‐Hernández, Adrià Cereto‐Massagué, Raúl Beltrán‐Debón, Cristina Valls, Miquel Mulero, Gerard Pujadas, Santiago Garcia‐VallvéĬomputer-aided drug design, synthesis and identification of disulfide compounds as novel and potential allosteric PAK1 inhibitors Rashad, Simon CocklinĪctivity and selectivity cliffs for DPP‐IV inhibitors: Lessons we can learn from SAR studies and their application to virtual screening Kinetic Characterization of Novel HIV-1 Entry Inhibitors: Discovery of a Relationship between Off-Rate and Potency Identification of Potentially Potent Heme Oxygenase 1 Inhibitors through 3D-QSAR Coupled to Scaffold‐Hopping Analysisĭr. Heba Alshaker, Shyam Srivats, Danielle Monteil, Qi Wang, Caroline M R Low, Dmitri Pchejetski ![]() Melikyan, and Simon Cocklinįield template-based design and biological evaluation of new sphingosine kinase 1 inhibitors Chittepu, Guillermo Osorio-Revilla and Tzayhri Gallardo-VelázquezĮxploring Modifications of an HIV-1 Capsid Inhibitor: Design, Synthesis, and Mechanism of Action Structure–Activity Relationship and Molecular Docking of Natural Product Library Reveal Chrysin as a Novel Dipeptidyl Peptidase-4 (DPP-4) Inhibitor: An Integrated In Silico and In Vitro Study International Journal of Medicinal Chemistry Musab Mohamed Ibrahim, Tilal Elsaman, and Mosab Yahya Al-Nour Synthesis, Anti-Inflammatory Activity, and In Silico Study of Novel Diclofenac and Isatin Conjugates Giuseppe Floresta, Emanuele Amata, Carla Barbaraci, Davide Gentile, Rita Turnaturi, Agostino Marrazzo and Antonio Rescifina Liyuan Liu, Li Liu, Zhen Tian, Yifan Li, Changhong Shi, Junling Shi, Sanhua Wei⊥, Yong Zhao, Caiqing Zhang, Bing Bai§, Zhinan Chen, and Hai ZhangĪ Structure- and Ligand-Based Virtual Screening of a Database of “Small” Marine Natural Products for the Identification of “Blue” Sigma-2 Receptor Ligands In Silico Discovery of a Small Molecule Suppressing Lung Carcinoma A549 Cells Proliferation and Inducing Autophagy via mTOR Pathway Inhibition 摘要:本文收集了Cresset产品及其场技术(Forge, SPARK,Torch, Blaze, XED Filed Technology)在最近几年发表的文章,包括在3D-QSAR、骨架跃迁、虚拟筛选,与分子叠合等领域的应用。 TitleĮlectrostatic complementarity as a fast and effective tool to optimize binding and selectivity of protein-ligand complexes
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