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School of Pharmacy : Goldblum Amiram


 Last updated December 2021 - School of Pharmacy

List of Publications

(1) El-Atawneh S, Hirsch S, Hadar R, Tam J, Goldblum A. Erratum: Prediction and experimental confirmation of novel peripheral cannabinoid-1 receptor antagonists (J. Chem. Inf. Model. (2019) 59:9 (3996-4006) DOI: 10.1021/acs.jcim.9b00577). J Chem Inf Model 2020;60(10):5282.

(2) Da'Adoosh B, Kaito K, Miyashita K, Sakaguchi M, Goldblum A. Computational design of substrate selective inhibition. PLoS Comput Biol 2020;16(3).

(3) Da’adoosh B, Marcus D, Rayan A, King F, Che J, Goldblum A. Discovering highly selective and diverse PPAR-delta agonists by ligand based machine learning and structural modeling. Sci Rep 2019;9(1).

(4) El-Atawneh S, Hirsch S, Hadar R, Tam J, Goldblum A. Prediction and Experimental Confirmation of Novel Peripheral Cannabinoid-1 Receptor Antagonists. J Chem Inf Model 2019;59(9):3996-4006.

(5) Cern A, Marcus D, Tropsha A, Barenholz Y, Goldblum A. New drug candidates for liposomal delivery identified by computer modeling of liposomes' remote loading and leakage. J Control Release 2017;252:18-27.

(6) Lerner I, Goldblum A, Rayan A, Vardi A, Michaeli A. From finance to molecular modeling algorithms: The risk and return heuristic. Curr Top Pept Protein Res 2017;18:117-131.

(7) Basu A, Sohn Y-, Alyan M, Nechushtai R, Domb AJ, Goldblum A. Discovering Novel and Diverse Iron-Chelators in Silico. J Chem Inf Model 2016;56(12):2476-2485.

(8) Zatsepin M, Mattes A, Rupp S, Finkelmeier D, Basu A, Burger-Kentischer A, et al. Computational Discovery and Experimental Confirmation of TLR9 Receptor Antagonist Leads. J Chem Inf Model 2016;56(9):1835-1846.

(9) Cern A, Michael-Gayego A, Bavli Y, Koren E, Goldblum A, Moses AE, et al. Nano-mupirocin: Enabling the parenteral activity of mupirocin. Eur J Nanomed 2016;8(3):139-149.

(10) Sean Froese D, Michaeli A, McCorvie TJ, Krojer T, Sasi M, Melaev E, et al. Structural basis of glycogen branching enzyme deficiency and pharmacologic rescue by rational peptide design. Hum Mol Genet 2015;24(20):5667-5676.

(11) Stern N, Goldblum A. Iterative stochastic elimination for solving complex combinatorial problems in drug discovery. Isr J Chem 2014;54(8-9):1338-1357.

(12) Cern A, Nativ-Roth E, Goldblum A, Barenholz Y. Effect of solubilizing agents on mupirocin loading into and release from PEGylated nanoliposomes. J Pharm Sci 2014;103(7):2131-2138.

(13) Cern A, Barenholz Y, Tropsha A, Goldblum A. Computer-aided design of liposomal drugs: In silico prediction and experimental validation of drug candidates for liposomal remote loading. J Control Release 2014;173(1):125-131.

(14) Rayan A, Falah M, Raiyn J, Da'Adoosh B, Kadan S, Zaid H, et al. Indexing molecules for their hERG liability. Eur J Med Chem 2013;65:304-314.

(15) Cern A, Golbraikh A, Sedykh A, Tropsha A, Barenholz Y, Goldblum A. Quantitative structure - Property relationship modeling of remote liposome loading of drugs. J Control Release 2012;160(2):147-157.

(16) Mian AA, Schüll M, Oancea C, Najajreh Y, Mahajna J, Goldblum A, et al. Targeting the oligomerization of BCR/ABL by membrane permeable competitive peptides inhibits the proliferation of Philadelphia Chromosome positive leukemic cells. Open Hematol J 2011;5(1):21-27.

(17) Ursu O, Rayan A, Goldblum A, Oprea TI. Understanding drug-likeness. Wiley Interdiscip Rev Comput Mol Sci 2011;1(5):760-781.

(18) Lavy T, Harries D, Goldblum A. Molecular properties from conformational ensembles. 1. Dipole moments of molecules with multiple internal rotations. J Phys Chem A 2011;115(23):5794-5809.

(19) Efrat NOY, Goldblum A. Flexible protein-protein docking based on best-first search algorithm. J Comput Chem 2010;31(9):1929-1943.

(20) Rayan A, Marcus D, Goldblum A. Predicting oral druglikeness by iterative stochastic elimination. J Chem Inf Model 2010;50(3):437-445.

(21) Zucker D, Marcus D, Barenholz Y, Goldblum A. Liposome drugs' loading efficiency: A working model based on loading conditions and drug's physicochemical properties. J Control Release 2009;139(1):73-80.

(22) Gorelik B, Goldblum A. High quality binding modes in docking ligands to proteins. Proteins Struct Funct Genet 2008;71(3):1373-1386.

(23) Ittah S, Michaeli A, Goldblum A, Gat U. A model for the structure of the C-terminal domain of dragline spider silk and the role of its conserved cysteine. Biomacromolecules 2007;8(9):2768-2773.

(24) Noy E, Tabakman T, Goldblum A. Constructing ensembles of flexible fragments in native proteins by iterative stochastic elimination is relevant to protein-protein interfaces. Proteins Struct Funct Genet 2007;68(3):702-711.

(25) Rosenberg M, Goldblum A. Computational protein design: A novel path to future protein drugs. Curr Pharm Des 2006;12(31):3973-3997.

(26) Rayan A, Senderowitz H, Goldblum A. Exploring the conformational space of cyclic peptides by a stochastic search method. J Mol Graph Model 2004;22(5):319-333.

(27) Rayan A, Noy E, Chema D, Levitzki A, Goldblum A. Stochastic algorithm for kinase homology model construction. Curr Med Chem 2004;11(6):675-692.

(28) Chema D, Eren D, Yayon A, Goldblum A, Zaliani A. Identifying the binding mode of a molecular scaffold. J Comp -Aided Mol Des 2004;18(1):23-40.

(29) Kilshtain-Vardi A, Shoham G, Goldblum A. Theoretical studies of catalysis by carboxypeptidase A: Could gas-phase calculations support a mechanism? Collect Czech Chem Commun 2003;68(11):2055-2079.

(30) Vardi-Kilshtain A, Shoham G, Goldblum A. Anhydride formation is not a valid mechanism for peptide cleavage by carboxypeptidase-A: A semiempirical reaction pathway study. Mol Phys 2003;101(17):2715-2724.

(31) Kilshtain-Vardi A, Glick M, Greenblatt HM, Goldblum A, Shoham G. Refined structure of bovine carboxypeptidase A at 1.25 Å, resolution. Acta Crystallogr Sect D Biol Crystallogr 2003;59(2):323-333.

(32) Vaya J, Mahmood S, Goldblum A, Aviram M, Volkova N, Shaalan A, et al. Inhibition of LDL oxidation by flavonoids in relation to their structure and calculated enthalpy. Phytochemistry 2003;62(1):89-99.

(33) Chema D, Goldblum A. The "nearest single neighbor" method-finding families of conformations within a sample. J Chem Inf Comput Sci 2003;43(1):208-217.

(34) Kilshtain-Vardi A, Shoham G, Goldblum A. Mechanism of action of zinc proteinases: A MNDO/d/H study of alternative general-acid general-base catalytic pathways for carboxypeptidase-A. Int J Quantum Chem 2002;88(1):87-98.

(35) Glick M, Rayan A, Goldblum A. A stochastic algorithm for global optimization and for best populations: A test case of side chains in proteins. Proc Natl Acad Sci U S A 2002;99(2):703-708.

(36) Goren I, Tavor E, Goldblum A, Honigman A. Two cysteine residues in the DNA-binding domain of CREB control binding to CRE and CREB-mediated gene expression. J Mol Biol 2001;313(4):695-709.

(37) Rayan A, Siew N, Cherno-Schwartz S, Matzner Y, Bautsch W, Goldblum A. A novel computational method for predicting the transmembrane structure of G-protein coupled receptors: Application to human C5aR and C3aR. Recept Channels 2000;7(2):121-137.

(38) Glick M, Goldblum A. A novel energy-based stochastic method for positioning polar protons in protein structures from X-rays. Proteins Struct Funct Genet 2000;38(3):273-287.

(39) Arad G, Chorev M, Shtorch A, Goldblum A, Kotler M. Point mutation in avian sarcoma leukaemia virus protease which increases its activity but impairs infectious virus production. J Gen Virol 1995;76(8):1917-1925.

(40) Goldblum A, Glick M, Rayan A. Determining proton positions in an enzyme-inhibitor complex is a first step for theoretical mechanistic studies of aspartic proteinases. Theoret Chim Acta 1993;85(1-3):231-247.

(41) Goldblum A, Rayan A, Fliess A, Glick M. Extending Crystallographic Information with Semiempirical Quantum Mechanics and Molecular Mechanics: A Case of Aspartic Proteinases. J Chem Inf Comput Sci 1993;33(2):270-274.

(42) Frim R, Goldblum A, Rabinovitz M. Spatial structure of 4nπ helicene dianions. Journal of the Chemical Society, Perkin Transactions 2 1992(2):267-274.

(43) Goldblum A, Loew GH. A molecular model for an anionic opiate μ-receptor: affinity and activation of morphine conformers. Eur J Pharmacol Mol Pharmacol Sect 1991;206(2):119-131.

(44) Rayan A, Fliess A, Kotler M, Chorev M, Goldblum A. Theoretical models of aspartic proteases: Active site properties, dimer stability and interactions with model inhibitors. ADV EXP MED BIOL 1991;306:555-558.

(45) Goldblum A. Modulation of the affinity of aspartic proteases by the mutated residues in active site models. FEBS Lett 1990;261(2):241-244.

(46) Goldblum A, Deeb O, Loew GH. Semiempirical MNDO/H calculations of opiates. Part 1. Building blocks: conformations of piperidine derivatives and the effect of hydrogen bonding. J Mol Struct THEOCHEM 1990;207(1-2):1-14.

(47) Breuer E, Karaman R, Goldblum A, Gibson D, Leader H, Potter BVL, et al. Erratum: α-Oxyiminophosphonates: Chemical and physical properties. Reactions, theoretical calculations and crystal structures of (E)- And (Z)-dimethyl α-Hydroxyiminobenzylphosphonates (Journal of the Chemical Society, Perkin Transactions 1 (1988) 3047). Journal of the Chemical Society, Perkin Transactions 1 1989(7):1367.

(48) Katzhendler J, Ringel I, Goldblum A, Gibson D, Tashma Z. Conformational studies of substituted five-membered cyclic carbonates and related compounds by MNDO, and the X-ray crystal structure of 4-chlorophenyloxymethyl-1,3-dioxolan-2-one. Journal of the Chemical Society, Perkin Transactions 2 1989(11):1729-1739.

(49) Breuer E, Karaman R, Gibson D, Goldblum A. Structure and reactivity of 2-hydroxyiminobenzyl-2-oxo-4,4,5,5-tetramethyl[1,3,2]dioxaphospholanes. Phosphorus Sulfur Silicon Relat Elem 1989;41(3-4):433-437.

(50) Karaman R, Goldblum A, Breuer E, Leader H. Acylphosphonic acids and methyl hydrogen acylphosphonates: Physical and chemical properties and theoretical calculations. Journal of the Chemical Society, Perkin Transactions 1 1989(4):765-774.

(51) Goldblum A. Hydrogen bonding in protein ligand interactions: a theoretical dimension of aspartic proteinase crystallography. Prog Clin Biol Res 1989;289:445-454.

(52) Goldblum A. Quantum mechanical modeling of aspartic proteinase interactions: Difference in binding of diastereomeric statine models. Biochem Biophys Res Commun 1988;157(2):450-456.

(53) Goldblum A. Theoretical Calculations on the Acidity of the Active Site in Aspartic Proteinases. Biochemistry 1988;27(5):1653-1658.

(54) Breuer E, Karaman R, Goldblum A, Gibson D, Leader H, Potter BVL, et al. α-Oxyiminophosphonates: Chemical and physical properties. Reactions, theoretical calculations, and x-ray crystal structures of (E) and (Z)-dimethyl α-hydroxyiminobenzylphosphonates. Journal of the Chemical Society, Perkin Transactions 1 1988(11):3047-3057.

(55) Breuer E, Karaman R, Gibson D, Leader H, Goldblum A. α-hydroxyiminophosphonic acids. New types of phosphorylating agents through monomeric metaphosphate. Journal of the Chemical Society, Chemical Communications 1988(7):504-506.

(56) Breuer E, Karaman R, Goldblum A, Leader H. Sulphonic acid-induced fragmentation of dialkyl acylphosphonates, formation of alkyl carboxylates and alkyl sulphonates. Journal of the Chemical Society, Perkin Transactions 2 1988(12):2029-2034.

(57) Katzhendler J, Goldblum A, Ringel I. Kinetic and theoretical considerations in the hydrolysis of iminocarbonates. Journal of the Chemical Society, Perkin Transactions 2 1988(9):1653-1660.

(58) Maran F, Goldblum A, D'Angeli F, Vianello E. Determination of kinetic acidities through an electrogenerated base. Application to the case of a family of NH acids. Electrochim Acta 1988;33(2):227-229.

(59) Scrimin P, Cavicchioni G, D'Angeli F, Goldblum A, Maran F. Chemistry of 2-bromo-2-methylpropanamides. Synthesis and solvolytic behaviour of oxazolidinones and spiro-oxazolidinones. Journal of the Chemical Society, Perkin Transactions 1 1988(1):43-47.

(60) Goldblum A. Calculation of proton transfers in hydrogen bonding interactions with semi-empirical MNDO/H. J Mol Struct THEOCHEM 1988;179(1):153-163.

(61) Breuer E, Karaman R, Leader H, Goldblum A. Phosphorylation of alcohols through the acid-catalysed fragmentation of α-oxyiminophosphonates. Journal of the Chemical Society, Chemical Communications 1987(9):671-672.

(62) Goldblum A. Improvement of the hydrogen bonding correction to MNDO for calculations of biochemical interest. J Comput Chem 1987;8(6):835-849.

(63) GOLDBLUM A, REIN R. Geometrical analysis of Cys‐Cys bridges in proteins and their prediction from incomplete structural information. Int J Pept Protein Res 1987;30(6):784-793.

(64) Goldblum A, Kieber-Emmons T, Rein R. An improved approach to the analysis of drug-protein binding by distance geometry. J Mol Struct THEOCHEM 1986;134(3-4):415-428.

(65) Diamant S, Agranat I, Goldblum A, Cohen S, Atlas D. β-adrenergic activity and conformation of the antihypertensive specific α2-agonist drug, guanabenz. Biochem Pharmacol 1985;34(4):491-498.

(66) Goldblum A, Loew GH. Quantum Chemical Studies of Model Cytochrome P450 Oxidations of Amines. 1. MNDO Pathways for Alkylamine Reactions with Singlet and Triplet Oxygen. J Am Chem Soc 1985;107(14):4265-4272.

(67) Loew GH, Goldblum A. Metabolic activation and toxicity of acetaminophen and related analogs. A theoretical study. Mol Pharmacol 1985;27(3):375-386.

(68) GORINSTEIN S, GOLDBLUM A, KITOV S, DEUTSCH J. Fermentation and Post‐Fermentation Changes in Israeli Wines. J Food Sci 1984;49(1):251-256.

(69) Gorinstein S, Goldblum A, Kotov S. The relationship between metals, polyphenols, nitogenous substances and treatment of red and white wines. AM J ENOL VITICULT 1984;35(1):9-15.

(70) Goldblum A. Structure-activity relationships of cholinesterase inhibitors. I. Quantum mechanical study of affinities of phenyl N-methyl carbamates. Mol Pharmacol 1983;24(3):436-442.

(71) Goldblum A, Sarel S. Electronic Structure and Reactivity of 2,2‐ethano‐1‐methylene 1,2,3,4‐tetrahydronaphthalene and 1,1‐ethano‐2‐methylene 1,2,3,4‐tetrahydronaphthalene. Isr J Chem 1982;22(1):71-75.

(72) Goldblum A, Yoshimoto M, Hansch C. Quantitative Structure-Activity Relationship of Phenyl JV-Methylcarbamate Inhibition of Acetylcholinesterase. J Agric Food Chem 1981;29(2):277-288.

(73) Loew GH, Herman ZS, Rohmer M‐, Goldblum A, Pudzianowski A. STRUCTURE, SPECTRA, AND FUNCTION OF MODEL CYTOCHROME P450. Ann New York Acad Sci 1981;367(1):192-218.

(74) Goldblum A, Loew GH. Quantum chemical studies of anaerobic reductive metabolism of halothane by cytochrome P-450. Chem -Biol Interact 1980;32(1-2):83-99.

(75) Loew G, Goldblum A. Electronic Spectrum of Model Cytochrome P450 Complex with Postulated Carbene Metabolite of Halothane. J Am Chem Soc 1980;102(10):3657-3659.

(76) Goldblum A, Perahia D, Pullman A. Use of the overlap multipole expansion for approximating molecular electrostatic potentials. Int J Quantum Chem 1979;15(1):121-129.

(77) Goldblum A, Pullman B. Study of anion binding to protonated nucleic acid bases using electrostatic molecular potentials. Theoret Chim Acta 1978;47(4):345-347.

(78) Goldblum A, Perahia D, Pullman A. Hydration scheme of the complementary base-pairs of DNA. FEBS Lett 1978;91(2):213-215.

(79) Pullman B, Goldblum A, Berthod H. Anion binding to nucleic acid bases. A quantum-mechanical exploration using electrostatic molecular potentials. Biochem Biophys Res Commun 1977;77(4):1166-1169.

(80) Goldblum A, Mechoulam R. Sodium chromate oxidation of enol benzoates. Allylic oxidation versus a novel rearrangement. J Chem Soc Perkin Trans 1 1977:1889-1898.

(81) Mechoulam R, Luchter K, Goldblum A. New method for the oxidation of monoketones to 1,3-diketones. Synthesis 1974;1974(5):363-364.

(82) Meyer AY, Goldblum A. Planar and Nonplanar Unsaturation. Preparation, Properties and Molecular‐Orbital Characterization of Some Fluoro‐Derivatives of Anthracene and Anthraquinone. Isr J Chem 1973;11(6):791-804.