Isoprenylcysteine carboxyl methyltransferase inhibitors: QSAR, docking and molecular dynamics studies
暂无分享,去创建一个
[1] P. Achary,et al. Evaluation of molecular structure based descriptors for the prediction of pEC50(M) for the selective adenosine A2A Receptor , 2021 .
[2] A. Toropova,et al. Combinations of graph invariants and attributes of simplified molecular input-line entry system (SMILES) to build up models for sweetness. , 2019, Food research international.
[3] Robert B. Kargbo. Treatment of Cancers by Inhibition of Isoprenylcysteine Carboxyl Methyltransferase. , 2019, ACS medicinal chemistry letters.
[4] F. Mollinedo,et al. A potent isoprenylcysteine carboxylmethyltransferase (ICMT) inhibitor improves survival in Ras-driven acute myeloid leukemia. , 2019, Journal of medicinal chemistry.
[5] Le Zhang,et al. Progress in molecular docking , 2019, Quantitative Biology.
[6] Cinque S. Soto,et al. Molecular Docking , 2018 .
[7] J. Hageman,et al. QSAR-based molecular signatures of prenylated (iso)flavonoids underlying antimicrobial potency against and membrane-disruption in Gram positive and Gram negative bacteria , 2018, Scientific Reports.
[8] Andrey A. Toropov,et al. CORAL: QSAR models for carcinogenicity of organic compounds for male and female rats , 2018, Comput. Biol. Chem..
[9] Guo Xia,et al. Bandwidth correction for LED chromaticity based on Levenberg-Marquardt algorithm , 2017, Applied Optics and Photonics China.
[10] Andrey A Toropov,et al. The index of ideality of correlation: A criterion of predictive potential of QSPR/QSAR models? , 2017, Mutation research.
[11] A. Toropova,et al. Quasi-SMILES and nano-QFPR: The predictive model for zeta potentials of metal oxide nanoparticles , 2016 .
[12] Murat Kayri,et al. Predictive Abilities of Bayesian Regularization and Levenberg–Marquardt Algorithms in Artificial Neural Networks: A Comparative Empirical Study on Social Data , 2016 .
[13] Kyle V. Butler,et al. Non-Substrate Based, Small Molecule Inhibitors of the Human Isoprenylcysteine Carboxyl Methyltransferase. , 2016, MedChemComm.
[14] Youzuo Lin,et al. A Computationally Efficient Parallel Levenberg-Marquardt Algorithm for Large-Scale Big-Data Inversion , 2015 .
[15] E. Benfenati,et al. CORAL: prediction of binding affinity and efficacy of thyroid hormone receptor ligands. , 2015, European journal of medicinal chemistry.
[16] E. Benfenati,et al. CORAL: Model for octanol/water partition coefficient , 2015 .
[17] Nazri Mohd Nawi,et al. Data classification using metaheuristic Cuckoo Search technique for Levenberg Marquardt back propagation (CSLM) algorithm , 2015 .
[18] Mukesh C. Sharma,et al. Pharmacophore modeling and atom-based 3D-QSAR studies on amino derivatives of indole as potent isoprenylcysteine carboxyl methyltransferase (Icmt) inhibitors , 2015 .
[19] Andrey A Toropov,et al. CORAL software: prediction of carcinogenicity of drugs by means of the Monte Carlo method. , 2014, European journal of pharmaceutical sciences : official journal of the European Federation for Pharmaceutical Sciences.
[20] P. Achary,et al. Simplified molecular input line entry system-based optimal descriptors: QSAR modelling for voltage-gated potassium channel subunit Kv7.2 , 2014, SAR and QSAR in environmental research.
[21] Paola Gramatica,et al. QSARINS: A new software for the development, analysis, and validation of QSAR MLR models , 2013, J. Comput. Chem..
[22] Hong‐yu Li,et al. Targeting mutant KRAS for anticancer therapeutics: a review of novel small molecule modulators. , 2013, Journal of medicinal chemistry.
[23] Mei Wang,et al. Functionalized indoleamines as potent, drug-like inhibitors of isoprenylcysteine carboxyl methyltransferase (Icmt). , 2013, European journal of medicinal chemistry.
[24] A. Lyapustin,et al. Assessment of Polarization Effect on Efficiency of Levenberg-Marquardt Algorithm in Case of Thin Atmosphere Over Black Surface , 2012 .
[25] R. Gibbs,et al. S-Farnesyl-Thiopropionic Acid (FTPA) Triazoles as Potent Inhibitors of Isoprenylcysteine Carboxyl Methyltransferase. , 2012, ACS medicinal chemistry letters.
[26] K. Weigel,et al. Predicting complex quantitative traits with Bayesian neural networks: a case study with Jersey cows and wheat , 2011, BMC Genetics.
[27] R. Gibbs,et al. Lipid and sulfur substituted prenylcysteine analogs as human Icmt inhibitors. , 2011, Bioorganic & medicinal chemistry letters.
[28] P. Slattum,et al. Discovery and SAR of methylated tetrahydropyranyl derivatives as inhibitors of isoprenylcysteine carboxyl methyltransferase (ICMT). , 2011, Journal of medicinal chemistry.
[29] R. Gibbs,et al. Probing the isoprenylcysteine carboxyl methyltransferase (Icmt) binding pocket: sulfonamide modified farnesyl cysteine (SMFC) analogs as Icmt inhibitors. , 2011, Bioorganic & medicinal chemistry letters.
[30] K. Roy,et al. Further exploring rm2 metrics for validation of QSPR models , 2011 .
[31] P. Casey,et al. Amino derivatives of indole as potent inhibitors of isoprenylcysteine carboxyl methyltransferase. , 2010, Journal of medicinal chemistry.
[32] B. Chromy,et al. Efficient maximum likelihood estimator fitting of histograms , 2010, Nature Methods.
[33] Walter Filgueira de Azevedo,et al. Molecular docking algorithms. , 2008, Current drug targets.
[34] A. Carroll,et al. Aplysamine 6, an alkaloidal inhibitor of Isoprenylcysteine carboxyl methyltransferase from the sponge Pseudoceratina sp. , 2008, Journal of natural products.
[35] A. Carroll,et al. Spermatinamine, the first natural product inhibitor of isoprenylcysteine carboxyl methyltransferase, a new cancer target. , 2007, Bioorganic & medicinal chemistry letters.
[36] Alexander G. Loukianov,et al. Discrete-Time Adaptive Backstepping Nonlinear Control via High-Order Neural Networks , 2007, IEEE Transactions on Neural Networks.
[37] L.M. Tolbert,et al. Fault Diagnostic System for a Multilevel Inverter Using a Neural Network , 2007, IEEE Transactions on Power Electronics.
[38] R. Baron,et al. Quantitative structure-activity relationship (QSAR) of indoloacetamides as inhibitors of human isoprenylcysteine carboxyl methyltransferase. , 2007, Bioorganic & medicinal chemistry letters.
[39] Tshilidzi Marwala,et al. Bayesian Training of Neural Networks Using Genetic Programming , 2006, The 2006 IEEE International Joint Conference on Neural Network Proceedings.
[40] R. Gibbs,et al. Amide-substituted farnesylcysteine analogs as inhibitors of human isoprenylcysteine carboxyl methyltransferase. , 2006, Bioorganic & medicinal chemistry letters.
[41] R. Gibbs,et al. Synthesis of desthio prenylcysteine analogs: sulfur is important for biological activity. , 2005, Bioorganic & medicinal chemistry letters.
[42] R. Baron,et al. A small-molecule inhibitor of isoprenylcysteine carboxyl methyltransferase with antitumor activity in cancer cells. , 2005, Proceedings of the National Academy of Sciences of the United States of America.
[43] D. M. Titterington,et al. Bayesian Methods for Neural Networks and Related Models , 2004 .
[44] David J. C. MacKay,et al. Comparison of Approximate Methods for Handling Hyperparameters , 1999, Neural Computation.
[45] Christopher M. Bishop,et al. A Hierarchical Latent Variable Model for Data Visualization , 1998, IEEE Trans. Pattern Anal. Mach. Intell..
[46] Daniel A. Gschwend,et al. Molecular docking towards drug discovery , 1996, Journal of molecular recognition : JMR.
[47] M. F. Møller. A Scaled Conjugate Gradient Algorithm for Fast Supervised Learning , 1990 .
[48] P. Achary,et al. Quantitative Structure–Activity Relationships (QSARs) Study for KCNQ Genes (Kv7) and Drug Discovery , 2021 .
[49] Mark Beale,et al. Neural Network Toolbox™ User's Guide , 2015 .
[50] R. Gibbs,et al. Amide-modified prenylcysteine based Icmt inhibitors: Structure-activity relationships, kinetic analysis and cellular characterization. , 2012, Bioorganic & medicinal chemistry.
[51] A. Jain,et al. Validation of QSAR Models-Strategies and Importance , 2011 .
[52] A. Tropsha,et al. Beware of q2! , 2002, Journal of molecular graphics & modelling.