Prof. Hanoch Senderowitz
CV
I completed my Ph.D. studies in computational organic chemistry with Professor Benzion Fuchs at Tel Aviv University in 1993. My main research subjects were in the field of steric and stereoelectronic effects, their mutual interplay and their influence on structure and reactivity in organic compounds. Between 1993 and 1997, I was a Post Doctorate Fulbright Fellow with Professor Clark Still in the MacroModel development team at Columbia University where my research focused on the development of a new smart Monte Carlo algorithm to accelerate convergence on multi-minima potential energy surfaces, on the integration of this method with Molecular Dynamics into a combined MC/MD simulation algorithm and on the development and QM-based parameterized of carbohydrate force fields.
In 1997, I returned to Israel and joined the pharmaceutical industry first at Peptor Ltd., where I worked on theoretical and modeling aspects related to the development of peptide-based drugs and latter at EPIX Pharmaceutical, a drug discovery company focused on the development of drugs targeting GPCRs and ion channels, where I headed the computational development group and worked on the development of improved tools for modeling the 3D structure of trans-membrane proteins, new QSAR methodologies, new Consensus Scoring algorithms and new methodologies to predict ADME/t properties of potential drugs.
Since 2009 I am an associate professor at the Department of Chemistry at Bar-Ilan University where I head the laboratory of molecular modeling, computer aided drug design and chemo-informatics.
Research
My current research involves modeling the structure and mode of action of pharmaceutically relevant bio-targets, studying the factors governing the interactions between such targets and their potential ligands and predicting the pharmacological profile of drug candidates, all in order to develop better drugs. Research conducted in my lab is interdisciplinary, at the interface between chemistry, biology and computer sciences, and is done in close collaboration with experimentalists. Current projects in my lab involve the development of optimization methods for drug design and the development of new therapies for Cystic Fibrosis, cardiac arrhythmia, inflammatory and autoimmune disorders, calcification-related diseases and coagulation-related pathologies.
Publications
1. Senderowitz, H.; Tropsha, A. Materials Informatics, J. Chem. Inf. Model., 2018, 58, 2377-2379 (editorial)
2. Munder A.; Moskovitz Y.; Meir A., Kahremany S.; Cohen G.; Shtriker E.; Levy L.; Viskind O.; Lellouche J-P.; Senderowitz H.; Chessler S.; Korshin E.; Rothshtein S.; Gruzman A. Covered by Neuroligin-2-derived peptide polyamidoamine-based (PAMAM) dendrimers enhances pancreatic β-cells’ proliferation and functions. MedChemComm 2018, accepted for publication.
3. Kahremany S.; Babaev I.; Hasin P.; Tamir T.; Ben-Zur T.; Cohen G.; Jiang Z.; Weintraub S.; Offen D.; Rahimipour S.; Major B.; Senderowitz H.; Gruzman A* Computer-aided design and synthesis of (1-(4-((3,4-dihydroxybenzylidene)amino)phenyl)-5-oxopyrrolidine-3-carboxylic acid) as a novel Nrf2 enhancer. ChemPlusChem. 2018, 83, 320-333. (Cover page).
4. Trifonov, L.; Nudelman, V.; Zhenin, M.; Matsree, E.; Afri, M.; Schmerling, B.; Cohen, G.; Jozwiak, K.; Weitman, M.; Korshin, E.; Senderowitz, H.; Shainberg, A.; Hochhauser, E.; Gruzman, A. A peptidomimetic: 1-benzyl-5-methyl-4-(octylamino)pyrimidin-2(1H)-one designed based on the structure of in TLR4 related TRIF-related adaptor molecule (TRAM) - decoy peptide, showed cardio protective effect in myocardial ischemia mouse model., Journal of Medicinal Chemistry, 2018, accepted for publication.
5. Kaspi, O.; Yosipof, A.; Senderowitz, H., Visualization of solar cells libraries space by dimension reduction methods Journal of Chemical Information and Modeling, 2018, 58, 2428-2439
6. Chen, X.; Zhu, S.; Zhenin, M.; Xu, W.; Bose, S.J.; Pik-Fan Wong, M.; P. H. Leung, G. Senderowitz, H.; Chen, J-H. A defective flexible loop contributes to the processing and gating defect of the predominant cystic fibrosis-causing mutation. FASEB Journal 2018, accepted for publication.
7. Atzmon, A.; Herrero, M.; Sharet, R.; Gilad, Y.; Senderowitz, H.; Elroy-Stein, O., Identification of potential targets including Sigma-1-Receptor for the therapy of VWM disease, Front Mol Neurosci. 2018, 11:336.
8. Zhenin, M.; Singh Bahia, M.; Marcou, G.; Varnek, A.; Senderowitz, H.; Horvath, D.; Rescoring of Docking Poses under Occam’s Razor – Are there Simpler Solutions? J Comput Aided Mol Des. 2018, 32, 877-888.
9. Kahremany, S.; Zhenin, M.; Maimoun, D.; Colotti, G.; Arad, M.; Shainberg, A.; Senderowitz, H.; Ruthstein, S.; Gruzman, A. Peptide-based development of PKA activators, New Journal of Chemistry, 2018, 42, 18585 - 18597.
10. Kakhlon, O.; Ferreira, I.; Solmesky, L.J.; Weil, M.; Khazanov, N.; Senderowitz, H.; Lossos, A.; Alvarez, R.; Yetil, D.; Pampou, S.; Escriba, P.; Yue, W.; Akman, H.; Guaiacol as a drug-candidate for treating Adult Polyglucosan Body Disease, 2018, JCI Insight, 2018 3(17). pii: 99694.
11. Kaspi, O.; Yosipof, A.; Senderowitz, H. PV Analyzer: A Decision Support System for Photovoltaic Solar Cells Libraries, Molecular Informatics, 2018, 37(9-10):e1800067.
12. Ortuso, F.; . Bagetta, D.; Maruca, A.; Talarico, C.; Bolognesi, M.L.; Haider, H.; Borges, F.; Bryant, S.; Langer, T.; Senderowitz, H.; Alcaro, S.; The Mu.Ta.Lig. Chemotheca: A community-populated molecular database for multi-target ligands identification and compound-repurposing, Front. Chem. 2018, 6:130..
13. Mei-Zahav, M.; Stafler, P.; Senderowitz, H.; Bentur, L.; Livnat, G.; Shtainberg, M.; Orenstein, N.; Bazak, L.; Prais, D.; Levine, H.; Gur, M.; Khazanov, N.; Simhaev, L.; Blau,
H.; Mussaffi, H. THE Q359K/T360K MUTATION CAUSES CYSTIC FIBROSIS IN GEORGIAN JEWS, J. Cyst. Fibros. 2018, 17, e41-e45.
14. Zelikman,a V.; Pelletier, J.; Simhaev, L.; Sela, A.; Gendron, F-P.; Arguin, G.; Senderowitz, H.; Sevigny, J.; Fischer, B. Highly Selective and Potent NPP1 Inhibitors Based on Uridine-5’-Phosphorodithioate Analogues, J. Med. Chem. 2018, 61, 3939-3951.
15. Wang, C.; Aleksandrov, A.A.; Yang, Z.; Forouhar, F.; Proctor, E.; Kota, P.; An, J.; Kaplan, A.; Khazanov, N.; Boël, G.; Stockwell, B.R; Senderowitz, H.; Dokholyan, N.V.; Riordan, J.R.; Brouillette, C.G; Hunt, J.F. Thermodynamic correction of F508del-hCFTR by ligand binding to a remote site in the mutated domain, J. Biol Chem., 2018, Jun 14. pii: jbc.RA117.000819. doi: 10.1074/jbc.RA117.000819.
16. Senderowitz, H.; Tropsha, A. Materials Informatics, J. Chem. Inf. Model., 2018, 58, 1313-1314 (editorial).
17. Yang, Z.; Hildebrandt, E.; Jiang, F.; Zhou, Q.; An, J.; Xavier, B.M.; Ding, H.; Khazanov, N.; Senderowitz, H.; Kappes, J.C.; Brouillette, C.G.; Urbatsch, I.L. Structural stability of purified human CFTR is systematically improved by mutations in nucleotide binding domain 1, Biochim Biophys Acta. 2018, 1860, 1193-1204.
18. Solmesky, L.J.; Khazanov, N.; Senderowitz, H.; Wang, P.; Minassian, B.; Ferreira, I.M.; Yue, W.; Lossos, A.; Weill, M.; Kakhlon, O. A novel image-based high throughput screening assay discovers therapeutic candidates for adult polyglucosan body disease, Biochemical Journal, 2017, 474, 3403-3420.
19. Kaspi, O.; Ysipof, A.; Senderowitz, H. Random Sample Consensus (RANSAC) Algorithm for Material-Informatics: Application to Photovoltaic Solar Cells, Journal of Chemoinformatics, 2017, 9, 34.
20. Simhaev Ischakov, L.; McCarty, N.A.; Ford, R.C.; Senderowitz, H. Molecular Dynamics Flexible Fitting (MDFF) Simulations Identify New Models of Closed State CFTR, J. Chem. Inf. Model., 2017, 57, 1932-1946.
21. Munder, A.; Israel, L.; Kahremany, S.; Shabat Binyamini, R.; Zhang, C.; Kolitz-Domb, M.; Viskind, O.; Levine, A.; Senderowitz, H.; Chessler, S.; Lellouche, J-P.; Gruzman, A. Mimicking Neuroligin-2 Functions in β-cells by Functionalized Nanoparticles as a Novel Approach for Antidiabetic Therapy, ACS Applied Materials & Interfaces, 2017, 9, 1189-1206.
22. Hildebrandt, E.; Khazanov, N.; Kappes, J.C.; Dai, Q.; Senderowitz, H.; Urbatsch IL. Specific stabilization of CFTR by phosphatidylserine, Biochim Biophys Acta. 2017, 1859, 289-293.
23. Gilad, Y.; Tuchinski, H.; Ben-David, G.; Minnes, R.; Gancz, A.; Senderowitz, H.; Luboshits, G.;, Firer, M.A.; Gellerman, G. Fusion of two chemotherapeutics into one entity results in new anticancer substances: discovery of potent molecular chimera CM358 to treat human metastatic melanoma, Eur. J. Med. Chem. 2017, 138, 602-615.
24. Raj Joshi, J.; Khazanov, N.; Senderowitz, H.; Burdman, S.; Lipsky, A.; Yedidia, I. Plant phenolic volatiles inhibit quorum sensing in Pectobacteria and reduce their virulence by potential binding to ExpI and ExpR proteins, Scientific Reports, 2016, 6, 38126.
25. Yosipof, A.; Kaspi, O.; Majhi, K,; Senderowitz, H. Visualization Based Data Mining for Comparison Between Two Solar Cell Libraries, Molecular Informatics, 2016, 35, 622-628.
26. Yosipof, A.; Shimanovich, K.; Senderowitz, H. Materials Informatics: Statistical Modeling in Material Science, Molecular Informatics, 2016, 35, 568-579.
27. Cui, G.; Khazanov, N.; Stauffer, B.B.; Infield, d.T.; Imhoff, B.R., Senderowitz, H.; McCarty, N.A. Potentiators exert distinct effects on human, murine, and Xenopus CFTR, Am J Physiol Lung Cell Mol Physiol. 2016, 311, L192-207.
28. Gilad, Y.; Noy, E.; Senderowitz, H.; Albeck, A.; Firer, M.A.; Gellerman, G. Synthesis, biological studies and molecular dynamics of new anticancer RGD-based peptide conjugates for targeted drug delivery, Bioorganic and Medicinal Chemistry, 2016 24, 294-303.
29. Gilad, Y.; Noy, E.; Senderowitz, H.; Albeck, A.; Firer, M.A.; Gellerman, G. Dual-drug RGD conjugates provide enhanced cytotoxicity to melanoma and non-small lung cancer cells, Peptide Science, 2015, 106, 160-171.
30. Khazanov, N.; Iline-Vul, T.; Noy, E.; Goobes, G.; Senderowitz, H. Design of Cellulose Binding Peptides as Carriers for Catalytic Degradation of Cellulose Inspired by the Cellulose Binding Domain from T. Reesei, J. Phys. Chem. B. 2016, 120, 309-19.
31. Nahum O. E.; Yosipof, A. Senderowitz, H. A Multi-Objective Genetic Algorithm for Outlier Removal, J. Chem. Inf. Model., 2015, 55, 2507-2518.
32. Zhenin, M.; Noy, E.; Senderowitz, H. REMD Simulations Reveal the Dynamic Profile and Mechanism of Action of Deleterious, Rescuing and Stabilizing Perturbations to NBD1 from CFTR, J. Chem. Inf. Model., 2015, 55, 2349–2364.
33. Avgy-David, H.; Senderowitz, H. Towards Focusing Conformational Ensembles on Bioactive Conformations: A Molecular Mechanics / Quantum Mechanics Study, J. Chem. Inf. Model. 2015, 55, 2154–2167.
34. Gilad, Y; Nadassy Katalin; Senderowitz, H. A reliable computational protocol for the selection of optimal screening libraries, J. Cheminformatics, 2015, Dec 11;7:61. doi: 10.1186/s13321-015-0108-0. eCollection 2015.
35. Yosipof, A.; Nahum, O. E.; Anderson, A. Y.; Barad, H.; Zaban, A.; Senderowitz, H. Data Mining and Machine Learning Tools for Combinatorial Material Science of All-Oxide Photovoltaic Cells, Molecular Informatics, 2015, 34, 367–379.
36. Getter, T.; Zaks, I,; Barhum, Y; Ben-Zur, T.; Böselt, S.; Gregoire, S.; Viskind, O.; Shani, T.; Gottlieb, H.; Green, O.; Shubely, M.; Senderowitz, H.; Israelson, A.; Kwon, I.; Petri, S.; Offen, D.; Gruzman, A. A novel chemical chaperone-based drug candidate is effective in mouse model of amyotrophic lateral sclerosis (ALS), ChemMedChem, 2015, 10, 850-61.
37. Momic, T.; Katzehendler, J.; Shai, E.; Varon, D.; Noy, E.; Senderowitz, H.; Eble, J. A.; Marcinkiewicz, C.; Lazarovici, P. Vipegitide a folded peptidomimetic partial antagonist of α2β1 integrin with anti-platelet aggregation activity, Drug Design, Development and Therapy, 2015, 9, 291-304.
38. Yosipof, A.; Senderowitz, H. k-Nearest Neighbors optimization based outlier removal. J. Comput. Chem. 2015, 36, 493-506.
39. Kahremany, S.; Livne, A.; Gruzman, A.; Senderowitz, H.; Sasson S. Activation of Peroxisome Proliferator Activator Receptor-δ: from computer modeling to biological effects, Br. J. Pharmacol. 2015 172, 754-70.
40. Momic, T.; Katzehendler, J.;, Lahiani, A.; Cohen, G.; Noy, E.; Senderowitz, H.; Eble, J. A.; Marcinkiewicz, C.; Lazarovici, P. Vidapin, a cyclic KTS peptide, dual antagonist of α1β1/α2β1 integrins with anti-angiogenic activity. J Pharmacol Exp Ther. 2014, 350 506-19.
41. Yosipof, A.; Senderowitz, H. Optimization of molecular representativeness. J Chem. Inf. Model. 2014, 54 1567-77.
42. Nadel, Y.; Gliad, Y.; Lecka, J.; Ben-David, G.; Sendrowitz, H.; Sévigny, J. Förster, D.; Reiser, G.; Camden, J.; Weisman, G. A.; Fischer, B, Highly potent and selective NPP1 inhibitors based on ATP - (α or γ) thio - (α,β or β,γ)-methylene scaffold. J. Med. Chem. 2014 57, 4677-91.
43. Gillerman, I.; Lecka. J.; Simhaev, L.; Munkonda, M.N.; Fausther, M.; Martín-Satué, M.; Senderowitz, H.; Sévigny, J.; Fischer, B. 2-Hexylthio-β,γ-CH2-ATP is a specific NTPDase2 inhibitor. J Med Chem. 2014, 57 5919-34.
44. Gilad, Y.; Senderowitz, H. Docking Studies on DNA Intercelators J. Chem. Inf. Model. 2014, 54, 96-107.
45. Lecka, J.; Ben-Daviv, G.; Simhaev, L.; Eliahu, S.; Oscar, J.; Luyindula, P.; Pelletier, J.; Fischer, B.; Senderowitz, H.; Sevigny, Non-Hydrolysable ATP Analogs as Selective Inhibitors of Human NPP1: A Combined Computational / Experimental Study J. Med. Chem. 2013, 56, 8308-20.
46. Meltzer-Mats, E.; Babai-Shani, G.; Pasternak, L.; Uritsky, N.; Getter, T.; Viskind, O.; Eckel, J.; Cerasi, E.; Senderowitz, H.; Sasson, S.; Gruzman, A. Synthesis and Mechanism of Hypoglycemic Activity of Benzothiazole Derivatives. J Med Chem. 2013, 56, 5335-50.
47. Hudson, R.; Chong, A.; Protasevich, I.I, Vernon, R.; Noy, E.; Bihler, H.; Li An, J.; Kalid, O.; Sela-Culang, I.; Mense, M.; Senderowitz, H.; Brouillette, C,; Forman-Kay, J.D. Conformational Changes Relevant to Channel Activity and Folding within the first Nucleotide Binding Domain of CFTR J Biol Chem. 2012, 287, 28480-94.
48. Noy, E.; Senderowitz, H. Combating cystic fibrosis: in search for CF transmembrane conductance regulator (CFTR) modulators ChemMedChem 2011, 6, 243-51 (invited).
49. Noy, E.; Senderowitz, H. Molecular simulations for the evaluation of binding free energies in lead optimization Drug Development Research, 2011, 72, 36-44 (invited).
50. Stempler, S.; Levy-Sakin, M.; Frydman-Marom, A.; Amir, Y.; Scherzer-Attali, R.; Buzhansky, L.; Gazit E.; Senderowitz, H. Quantitative Structure-Activity Relationship Analysis of β-Amyloid Aggregation Inhibitors J. Comput. Aided. Mol. Design 2011, 25, 135-44.
51. Musafia, B.; Senderowitz, H. Biasing conformational ensembles toward bioactive-like conformers for ligand-based drug design Expert Opinion on Drug Discovery, 2010, 5, 943-59 (invited).
52. Thibodeau, P.H.; Richardson III, J.M.; Wang, W.; Millen, L.; Watson, J.; Mendoza, J.; Du, K.; Fischman, S.; Senderowitz, H.; Lukacs, G.; Kirk, K.; Thomas, P.J. The cystic fibrosis-causing mutation deltaF508 affects multiple steps in cystic fibrosis transmembrane conductance regulator biogenesis. JBC, 2010 285, 35825-35.
53. Kalid, O.; Fischman, S.; Mense, M.; Shitrit, A.; Bihler, H.; Ben-Zeev, E.; Schutz, N.; Pedemonte, N.; Thomas, P.J.; Bridges, R.J.; Wetmore, D.R.; Marantz, Y.; Senderowitz, H. Small molecule correctors of F508del-CFTR discovered by structure-based virtual screening J. Comput. Aided. Mol. Design, 2010, 24, 971-91.
54. Sela, I.; Golan, G.; Strajbl, M.; Rivenzon-Segal, D.; Bar-Haim, S.; Bloch, I.; Inbal, B.; Shitrit, A.; Ben-Zeev, E.; Fichman, M.; Markus, Y.; Marantz, Y.; Senderowitz, H.; Kalid, O. G protein coupled receptors -in silico drug discovery and design. Curr Top Med Chem. 2010, 10, 638-56.
55. Musafia, B.; Senderowitz, H. Bioactive conformational biasing: A new method for focusing conformational ensembles on bioactive conformers J. Chem. Inf. Model. 2009, 49, 2469-80.
56. Senderowitz, H.; Marantz Y. G protein-coupled receptors: Target-based in silico screening Current Pharmaceutical Design, 2009, 15, 4049-68 (invited).
57. Bar-Haim, S.; Aharon, A.; Ben-Moshe, T.; Marantz, Y.; Senderowitz, H. SeleX-CS: A new consensus scoring algorithm for hit discovery and lead optimization J. Chem. Inf. Model., 2009, 49, 623-33.
58. Litman, P.; Ohne, O.; Ben-Yaakov, S.; Shemesh-Darvis, L.; Yechezkel, T.; Salitra, Y.; Rubnov, S.; Cohen, I.; Senderowitz, H.; Kidron, D.; Livnah, O.; Levitzki, A.; Livnah, N. A novel substrate mimetic inhibitor of PKB/Akt inhibits prostate cancer tumor growth in mice by blocking the PKB pathway Biochemistry, 2007, 46, 4716-4724.
59. Hess, S.; Ovadia, O.; Shalev, D.E.; Senderowitz, H.; Qadri, B.; Yechezkel, T.; Salitra, Y.; Sheynis, T.; Jelinek, R.; Gilon, H.; Hoffman, A. Effect of structural and conformation
modifications, including backbone cyclization, of hydrophilic hexapeptides on their intestinal permeability and enzymatic stability J. Med. Chem., 2007, 50, 6201-6211.
60. Rayan, A.; Senderowitz, H.; Goldblum, A. Exploring the conformational space of cyclic peptides by a stochastic search method J. Mol. Graph. Model., 2004, 22, 319-333.
61. Akavia, A.; Senderowitz, H.; Lerner, A.; Shamir, R. Designing multi route synthesis in combinatorial chemistry J. Comb. Chem., 2004, 6, 540-548.
62. Senderowitz, H.; Rosenfeld R. Design of structural combinatorial libraries that mimic biological motif Journal of Receptor and Signal Transduction Research, 2001, 21, 489-508 (invited).
63. Falb, E.; Salitra, Y.; Yechezkel, T.; Bracha, M.; Litman, P.; Olender, R.; Rosenfeld, R.; Senderowitz, H.; Jiang, S.; Goodman, M. A Bicyclic and Hsst2 selective somatostatin analog: Design, synthesis conformational analysis and binding Bioorganic & Medicinal Chemistry, 2001, 9, 3255-3264.
64. Perez S.; Imberty, A.; Engelsen, S.B.; Gruza, J.; Mazeau, K.; Jimenez-Barbero, J.; Poveda, A.; Espinosa, J.; van Eyck, B.P.; Johnson, G.; French, A.D.; Kouwijzer, M.L.C.E.; Rootenius, P.D.J.; Bernardi, A.; Raimondi, L.; Senderowitz, H.; Durier, V.; Vergoten, G.; Rasmussen, K. A comparison and chemometric analysis of several molecular mechanics force fields and parameter sets applied to carbohydrate Carbohydrate Res., 1998, 314, 141-155.
65. Senderowitz, H.; Still, W.C. Sampling the potential energy surface of a Glycyl-Glycine peptide: Comparison of Metropolis Monte Carlo and stochastic dynamics J. Comput. Chem., 1998, 19, 1294-1299.
66. Senderowitz, H.; Still, W.C. MC(JBW): Simple but smart Monte Carlo algorithm for free energy simulations of multiconformational molecules J. Comput. Chem., 1998, 19, 1736-1745.
67. Senderowitz, H.; McDonald, D.Q.; Still W.C. A practical method for calculating relative free energies of binding. Chiral recognition of peptidic ammonium ions by synthetic ionophores J. Org. Chem., 1997, 62, 9123-9127.
68. Diedrich, M.K.; Klärner, F-G.; Beno, B.R.; Houk, K.N.; Senderowitz, H.; Still, W.C. Experimental determination of the activation parameters and stereoselectivities of the intramolecular Diels-Alder reactions of 1,3,8-Nonatriene, 1,3,9-Decatriene and 1,3,10-Undecatriene and transition state modeling with the Monte Carlo-Jumping Between Wells/molecular dynamics method J. Am. Chem. Soc., 1997, 119, 10255-10259.
69. Senderowitz, H.; Still, W.C. Anomeric free energy of D-mannose in water: A comparison of free energy perturbation, potential of mean force and MC(JBW)/SD simulations J. Phys. Chem. B, 1997, 101, 1409-1412.
70. Senderowitz, H.; Still, W.C. A quantum mechanically derived all atom force field for pyranose oligosaccharides. AMBER* parameters and free energy simulations J. Org. Chem., 1997, 62, 1427-1438.
71. Senderowitz, H.; Fuchs, B. Steric and stereoelectronic effects in saturated heterocycles. 1. Small molecular fragment constituents. Theory vs. experiment Journal of Molecular Structure (THEOCHEM), 1997, 395, 123-155.
72. Golender, L.; Senderowitz, H.; Fuchs, B. Relative stabilities and conformational ring inversion potential in heterodecalins decalin systems and stereoelectronic implications Journal of Molecular Structure (THEOCHEM), 1996, 370, 221-236.
73. Senderowitz, H.; Parish, C.; Still. W.C. Carbohydrates: United atom AMBER* parameterization of pyranoses and simulations yielding anomeric free energies J. Am. Chem. Soc., 1996, 118, 2078-2086.
74. Senderowitz, H.; Guarnieri, F.; Still, W.C. A smart Monte Carlo technique for free energy simulations of multiconformational molecules. Direct calculation of the conformational populations of organic molecules J. Am. Chem. Soc., 1995, 117, 8211-8219.
75. Senderowitz, H.; Linden, A.; Golender, L.; Abramson, S.; Fuchs, B. Structure and conformation of heterocycles. 25. New supramolecular host system. 1. A structural and conformational study of the 1,3,5,7-Tetraoxadecalin core system Tetrahedron, 1994, 50, 9691-9706.
76. Senderowitz, H.; Golender, L.; Fuchs, B. New supramolecular host system. 2. 1,3,5,7-Tetraoxadecalin, 1,2-Dimethoxymethane and the gauche effect reappraised. Theory vs. experiment Tetrahedron, 1994, 50, 9707-9728.
77. Senderowitz, H.; Aped, P.; Fuchs, B. computations of O-C-F and N-C-F systems: Ab initio calculations and a MM2 parameterization study. Theory vs. experiment Tetrahedron, 1993, 49, 3879-3898.
78. Senderowitz, H.; Aped, P.; Fuchs, B. Modified MM2 scheme for computation of O-C-N containing systems J. Comput. Chem., 1993, 14, 944-960.
79. Aped, P.; Fuchs, B.; Goldberg, I.; Senderowitz, H.; Tartakovsky, E.; Weiman, S. Structure and conformation of heterocycles. 21. Probing the anomeric effect in orthoesters. Structure, conformation and dynamic behavior of a unique Orthooxalate: 2,5,7,10,11,14-Hexaoxa[4.4.4]Propellane J. Am. Chem. Soc., 1992, 114, 5585-5590.
80. Senderowitz, H.; Aped, P.; Fuchs, B. Computation of N-C-N systems: Theory vs. experiment Tetrahedron, 1992, 48, 1131-1144.
81. Ben-Horin, N.; Senderowitz, H.; Kaldor, U.; Even, U.; Jortner, J. An electrostatic model for the energetics of large heteroclusters cations J. Phys. Chem., 1992, 96, 1569-1575.
82. Borremans, F.; Anteunis, M.; Aped, P.; Goldberg, I.; Senderowitz, H.; Tartakovsky, E.; Fuchs, B. Structure, conformation and stereoelectronics of 9,10-Annelated-1,4,5,8-tetraoxadecalins: A multidisciplinary probe Tetrahedron, 1991, 47, 5781-5796.
83. Senderowitz, H.; Aped, P.; Fuchs, B. Structure and conformation of heterocycles. 19. Probing the anomeric effect in O-C-N systems: Theory vs. experiment. MO-ab initio calculations and a structural statistical analysis Helv. Chim. Acta, 1990, 73, 2113-2128.
84. Schleifer, L.; Senderowitz, H.; Aped, P.; Tartakovsky, E.; Fuchs, B. Structure and conformation of heterocycles. 16. Diagnostic structural criteria for the anomeric effect in carbohydrate systems and inferences of general significance on their scope and limitations Carbohydrate Res., 1990, 206, 21-39.
85. Senderowitz, H.; Schleifer, L.; Aped, P.; Fuchs, B. Conformational energy and entropy differences of the t-butoxy group and implications in stereochemistry and stereoelectronics Tetrahedron Lett., 1989, 30, 6765-6768.
Invited book chapters
86. Momic, T.; Katzehendler, J.; Noy, E.; Senderowitz, H.; Eble, J.A.; Marcinkiewicz, C.; Lazarovici, P. Disintegrin-Based, Synthetic Cyclic KTS Peptides as Novel Dual Antagonists of α1β1/α2β1 Integrins with Antiangiogenic Activity, in Anti-Angiogenesis Drug Discovery and Development, Vol.3 by Bentham Science Publishers eBook series, 2015, pp 16-45, DOI: 10.2174/9781681081557116030004
87. Yosipof A.; Senderowitz, H. Optimization Algorithms for Chemoinformatics and Material-informatics, in Optimization Algorithms, by InTech Publishers, 2016, book edited by Ozgur Baskan, ISBN 978-953-51-2593-8, Print ISBN 978-953-51-2592-1, DOI: 10.5772/62483
88. Senderowitz, H.; Rosenfeld R. Design of structural combinatorial libraries that mimic biological motif In “Combinatorial Library Design and Evaluation of Drug Discovery:
Principles, Methods Software Tools and Applications” Ed. Arup K.G. And Vellarkad N. V. Marcel Dekker, 2001, pp. 605-624. Per editor request, this paper also appeared in Journal of Receptor and Signal Transduction Research, 2001, 21, 489-508 (reference 37 in the current list).
89. Aped, P.; Senderowitz, H .Molecular mechanics calculations of amino, nitro and nitroso groups in "Supplement F2: The Chemistry of Amino, Nitroso, Nitro and related Groups” of "The Chemistry of Functional Groups", Ed. Saul Patai. John Wiley & Sons, 1996, pp 1-84.
Supplements of scientific conferences (refereed)
90. Senderowitz, H.; Golender, L.; Fuchs, B. 1,3,5,7-tetraoxadecalin, 1,2-dimethoxyethane and the gauche effect reappraised – theory vs. experiment, Abstract of Papers of the American Chemicals Society, 1994, 207, 93-COMP.
91. Senderowitz, H.; Fuchs, B. Steric and stereoelectronic effects in conformational-analysis by molecular fragments analysis, Abstract of Papers of the American Chemical Society, 1995, 209, 55-COMP.
92. Senderowitz, H.; Andrews, W. Determining anomeric free-energy differences by computer simulations, Abstract of Papers of the American Chemicals Society, 1995, 209, 108-CARB.
93. Senderowitz, H.; Still, W.C. A smart Monte Carlo technique for free energy simulations. Direct calculations of conformational free energies, Abstract of Papers of the American Chemicals Society, 1996, 211, 7-COMP.
94. Parish, C.A., Senderowitz, H.; Still, W.C. Carbohydrates: United atom AMBER* parameterization of pyranoses and simulations yielding anomeric free energies, Abstract of Papers of the American Chemicals Society, 1996, 212, 87-COMP.
95. Parish, C.A., Senderowitz, H.; Still, W.C. Direct calculation of anomeric free energies: A smart Monte Carlo stochastic dynamics method, Abstract of Papers of the American Chemicals Society, 1997, 214, 60-COMP.
96. Parish, C.A., Senderowitz, H.; Still, W.C. Carbohydrates: AMBER* parameterization of pyranoses and simulations yielding anomeric free energies, Abstract of Papers of the American Chemicals Society, 1998, 216, 158-COMP.
97. Becker, M.O.; Senderowitz, H.; Fischman, S. Modleing and in silico screening of membrane proteins: Application to CFTR Pediatric Pulmonology 2005, 40(s28), 91-92.
98. Shacham, S.; Marantz, Y.; Senderowitz, H.; Orbach, P.; Sharadendu, A.; Becker, O.; Noiman, S. Novel 5-HT6 receptor antagonists for the treatment of obesity, Obesity Research, 2005, 13, Supplement: S, A192-192.
99. Senderowitz, H.; Fischman, S.; Strajbl, M.; Shitrit, A.; Becker, O.M. Modeling the 3D structure of CFTR Pediatric Pulmonology 2006, 41(s29), 229.
100. Senderowitz, H.; Fischman, S.; Strajbl, M.; Noy, E.; Shitrit, A. Modeling full length CFTR: From sequence to structure Pediatric Pulmonology 2007, 42(s30), 103-104.
101. Senderowitz, H.; Fischman, S.; Kalid, O.; Sela, I.; Shitrit, A.; Strajbl, M.; Marantz, Y. Modeling the three-dimensional structure of CFTR Pediatric Pulmonology 2007, 42(s30), 219.
102. Mense, M.; Bihler, H.; Kirstein, S.; Harrington, J.; Fischman, S.; Kalid, O.; Schutz, N.; Sela, I.; Shitrit, A.; Strajbl, M.; Chiang, P.; Reddy, S.; Xiao, J.; Ghosh, S.; Kolodziej, A.; Senderowitz, H.; Millen, L.; Thomas, P.J.; Pedemonte, N.; Galietta, L.J.; DeWitt, S.; Jones, S.S. In silico screening for CFTR corrector molecules leads to the identification of dual-acting corrector-potentiator molecules Pediatric Pulmonology 2008, 43(s31), 317.
103. Millen, L.; Thibodeau, P.; Mendoza, J.; Fischman, S.; Senderowitz, H.; Thomas, P.J. Assessment of domain-domain interactions in CFTR Pediatric Pulmonology 2008, 43(s31), 202.
104. Mense, M.; Chiang, P.; Bihler, H.; Cassidy, K.; Coulson, L.; Harrington, J.; Fischman, S.; Kalid, O.; Shitrit, A.; Reddy, S.; Bai, X.; Baloglu, E.; Chen, D.; Dumas, S.; Xiao, J.; Kolodziej, A.; McCauley, D.; Senderowitz, H.; Millen, L.; Thomas, P.J.; Galietta, L.J.; Wetmore, D.; DeWitt, S.; Jones, S.S. Lead optimization of DF508 CFTR dual-acting corrector-potentiator compounds Pediatric Pulmonology 2009, 44(s32), 90.
105. Noy, E.; Thibodeau, P.; Senderowitz H. Computationally-designed refinement of NBDs expression for structural and biochemical studies Pediatric Pulmonology 2010, 45(s33), 234.
106. Khazanov, N.; Senderowitz H. Stability prediction of nucleotide binding domain 2 of CFTR using MD simulations Pediatric Pulmonology 2012, 47(s35), 231.
107. Zhenin, M.; Noy, E.; Senderowitz, H. Replica exchange MD simulations of wt- and DF508 NBD1 constructs from CFTR Pediatric Pulmonology 2012, 47(s35), 231.
108. Hudson, R.; Chong, P.; Protasevich, I.I.; Dawson, J.; Vernon, R,; Noy, E.; Bihler, H.; An, J.L.; Kalid, O.; Sela-Culang, I.; Mense, M.; Senderowitz, H.; Brouillette, C.; Forman-Kay, J. Direct binding of CFTR modulators to human CFTR NBD1 Pediatric Pulmonology 2012, 47(s35), 243.
109. Khazanov, N.; Senderowitz, H. Conformational predictions of NBD2 of CFTR using computational tools Pediatric Pulmonology 2013, 48(s36), 215.
110. Fichman, M.; Schmidt, A.; Thomas, P.J.; Senderowitz H. Exploration of the ATP binding site in CFTR-NBD1 for enhanced ligand binding, Journal of Cystic Fibrosis 2013:12, Supplement 1, p. S7.
111. Gigi, R.; Fichman, M.; Schmidt, A.; Thomas, P.J.; Senderowitz, H. ATP analogues as stabilizers of NBD1 Pediatric Pulmonology 2014, 49(s38), 230.
112. Zhenin, M.; Noy, E.; Senderowitz, H. REMD Simulations Reveal the Dynamic Profile and Mechanism of Action of Deleterious, Rescuing and Stabilizing Perturbations to NBD1 from CFTR, Pediatric Pulmonology 2015, 50(s41), 201.
113. Simchaev, L.; McCarty, N.A.; Ford, R.; Senderowitz, H. Molecular dynamics flexible fitting (MDFF) simulations identify models of close-state CFTR Pediatric Pulmonology 2015, 50(s41), 201.
114. Guiying, C.; Khazanov, N.; Senderowitz, H.; McCarty, N.A. Comparative molecular pharmacology of CFTR. Towards the identification of novel potentiators and their binding sites Pediatric Pulmonology 2015, 50(s41), 208.
115. Lazarovici, P.; Momic, T.; Katzehendler, J.; Ofra, B.; Noy, E.; Senderowitz, H.; Eble, J.A.; Marcinkiewicz, C. Vimocin and Viapin cyclic KTS peptides, are dual, partial anatagonists of a1b1/a2b1 integrins with antiangiogenic activity Cancer Microenvironment, 2015, 8(Sup1), S128.
116. Yosipof, A.; Nahum, O.; Senderowitz, H. Statistical modeling in material sciences, Journal of Cheminformatics 2016, 8(Suppl 1):O12
117. Guiying, C.; Khazanov, N.; Imhoff, B.R.; Senderowitz, H.; McCarty, N.A. Novel potentiators of cystic fibrosis transmembrane conductance regulator identified with pharmacophore modeling and experimental screening Pediatric Pulmonology 2016, 51(s45), 203.
118. Yang, Z.; An, J.; Zhou, Q.; Khazanov, N.; Hildebrandt, E.; Dai, Q.; Ding, H.; Macon, K.; He, L.; Riordan, J.R.; DeLucas, L.J.; Kappes, J.C.; Urbatsch, I.L.; Senderowitz, H.; Brouillette, C.G. Identification of “supper” thermostabilizing NBD1 mutations for
introduction into heterologously expressed human CFTR destined for large scale purification and biophysical characterization Pediatric Pulmonology 2016, 51(s45), 218.
119. Ran, Y.; Crum, C.M.; Yosipof, A.; Kaspi, O.; Senderowitz, H.; Thibodeau, P.H. Biophysical and computational characterization of rare CF-causing mutations Pediatric Pulmonology 2016, 51(s45), 208.
120. Yang, Z.; Zhou, Q.; An, J.; Rab, A.; Hong J. S.; Khazanov, N.; Senderowitz, H.; Sorscher, E.; Brouillette, C. CFTR2 mutations in NBD1: Correlation between in vitro thermal instability and severity of folding defects Pediatric Pulmonology 2017, 52(s47), 235.
121. Senderowitz, H.; Zhenin, M.; Simhaev, L.; Khazanov, N. The dynamics of WT and mutant CFTR Pediatric Pulmonology 2018, 53(supplement 2), 149.
122. Sabusap, C.P.; Joshi, D.; Rab, A.; Solomon, G.M., Simhaev, L., Sorscher, E.J.; Senderowitz, H.; Hong, J.S. Structure of CFTR N-terminal lasso helices as a guide for evaluating mutant CFTR channel folding, maturation and pharmacological rescue Pediatric Pulmonology 2018, 53(supplement 2), 152.
123. Urbatsch, I.L.; Yang, Z.; Hildebrandt, E.; Jiang, F.; Aleksandrov, A.; Khazanov, N.; Riordan, J.R.; Senderowitz, H.; Brouillette, C.; Kappes, J.C.; Functional stabilization of purified human CFTR by NBD1 mutations and by conformations. Pediatric Pulmonology 2018, 53(supplement 2), 152.
Research Group
Present Members:
Netaly Khazanov (Post-doc: 2011-2016; Research Associate, 2016-present)
Yair Frank (MSc, 2018-present)
Malkeet Singh (Post-doc: 2017-present)
Jacob Spiegel (PhD, 2017-present)
Hadar Binyamin (MSc, 2017-present)
Ava Yuan Xue (PhD, 2018-present)
Meir Touito (MSc, 2018-visiting student)
Former Members:
Michael Zhenin (MSc, 2014, PhD, 2018)
Luba Simchaev (MSc, 2013, PhD, 2017)
Jacob Spiegel (MSc, 2017)
Efrat Noy (Post-doc: 2009-2015)
Tamar Getter (MSc, 2012; PhD, 2016)
Shririn Kahremani (MSc, 2012; PhD, 2016),
Yocheved Gilad (MSc, 2013)
Oren Nahum (Post-doc: 2013-2015)
Seema Dhail (PhD student from India: 2014-2015),
Avraham Yosipof (PhD, 2014; Post-doc: 2014-2015)
Reut Gigi (MSc, 2015)
Hannah Avgi (MSc, 2014)
Gal Fradin (MSc, 2009)
Last Updated Date : 03/03/2024
