(1) Yeh, I.; Bum-Erdene, K.; Giovanni, G. G.; Ghozayel, M. G.; Pollok, K. P.; Meroueh, S. O. Small-Molecule Covalent TEAD1•YAP1 Transcription Factor Degraders Submitted 2024.
(2) Landgraf, A.; Brenner, R.; Gonzalez-Gutierrez, G.; Bum-Erdene, K.; Ghozayel, M. K.; Meroueh, S. O. Covalent Fragment Reacts at K-RAS Tyr-71 and Creates a Switch I/II Binding Site. Submitted 2024.
(3) Bailey, B. J.; Xu, D.; Zhou, D.; Sishtla, K.; Liu, S.; Fishel, M.; Corson, T. W.; Pollok, K. E.; Meroueh, S. O. Phenotypic Screening Identifies Small Molecules that Inhibit Glioblastoma Cancer Cell Growth Submitted 2024.
(4) Landgraf, A. D.; Yeh, I. J.; Ghozayel, M. K.; Bum-Erdene, K.; Gonzalez-Gutierrez, G.; Meroueh, S. O. Exploring Covalent Bond Formation at Tyr-82 for Inhibition of Ral GTPase Activation. ChemMedChem 2023, 18 (16), e202300272.
(5) Hussain, M. S.; Liu, D.; Alilain, W. J.; Meroueh, S. O. Covalent Fragment Inhibits RhoA Activation by Guanine Exchange Factors. ACS Chem Neurosci 2023, 14 (14), 2509-2516.
(6) Bum-Erdene, K.; Yeh, I. J.; Gonzalez-Gutierrez, G.; Ghozayel, M. K.; Pollok, K.; Meroueh, S. O. Small-Molecule Cyanamide Pan-TEAD·YAP1 Covalent Antagonists. Journal of Medicinal Chemistry 2023, 66 (1), 266-284.
(7) Bum-Erdene, K.; Ghozayel, M. K.; Zhang, M. J.; Gonzalez-Gutierrez, G.; Meroueh, S. O. Chloroacetamide fragment library screening identifies new scaffolds for covalent inhibition of the TEAD.YAP1 interaction. RSC Med Chem 2023, 14 (9), 1803-1816.
(8) Brenner, R. J.; Landgraf, A. D.; Bum-Erdene, K.; Gonzalez-Gutierrez, G.; Meroueh, S. O. Crystal Packing Reveals a Potential Autoinhibited KRAS Dimer Interface and a Strategy for Small-Molecule Inhibition of RAS Signaling. Biochemistry 2023, 62 (22), 3206-3213.
(9) Bum-Erdene, K.; Ghozayel, M. K.; Xu, D.; Meroueh, S. O. Covalent Fragment Screening Identifies Rgl2 RalGEF Cysteine for Targeted Covalent Inhibition of Ral GTPase Activation. ChemMedChem 2022, 17 (6), e202100750.
(10) Xu, H.; Van der Jeught, K.; Zhou, Z.; Zhang, L.; Yu, T.; Sun, Y.; Li, Y.; Wan, C.; So, K. M.; Liu, D.; et al. Atractylenolide I enhances responsiveness to immune checkpoint blockade therapy by activating tumor antigen presentation. J Clin Invest 2021, 131 (10).
(11) Xu, D.; Bum-Erdene, K.; Leth, J. M.; Ghozayel, M. K.; Ploug, M.; Meroueh, S. O. Small-Molecule Inhibition of the uPAR uPA Interaction by Conformational Selection. ChemMedChem 2021, 16 (2), 377-387.
(12) Bum-Erdene, K.; Liu, D.; Xu, D.; Ghozayel, M. K.; Meroueh, S. O. Design and Synthesis of Fragment Derivatives with a Unique Inhibition Mechanism of the uPAR.uPA Interaction. ACS Med Chem Lett 2021, 12 (1), 60-66.
(13) Xu, D.; Zhou, D.; Bum-Erdene, K.; Bailey, B. J.; Sishtla, K.; Liu, S.; Wan, J.; Aryal, U. K.; Lee, J. A.; Wells, C. D.; et al. Phenotypic Screening of Chemical Libraries Enriched by Molecular Docking to Multiple Targets Selected from Glioblastoma Genomic Data. ACS Chem Biol 2020, 15 (6), 1424-1444.
(14) Bum-Erdene, K.; Liu, D.; Gonzalez-Gutierrez, G.; Ghozayel, M. K.; Xu, D.; Meroueh, S. O. Small-molecule covalent bond formation at tyrosine creates a binding site and inhibits activation of Ral GTPases. Proc Natl Acad Sci U S A 2020, 117 (13), 7131-7139.
(15) Si, Y.; Xu, D.; Bum-Erdene, K.; Ghozayel, M. K.; Yang, B.; Clemons, P. A.; Meroueh, S. O. Chemical Space Overlap with Critical Protein-Protein Interface Residues in Commercial and Specialized Small-Molecule Libraries. ChemMedChem 2019, 14 (1), 119-131.
(16) Bum-Erdene, K.; Zhou, D.; Gonzalez-Gutierrez, G.; Ghozayel, M. K.; Si, Y.; Xu, D.; Shannon, H. E.; Bailey, B. J.; Corson, T. W.; Pollok, K. E.; et al. Small-Molecule Covalent Modification of Conserved Cysteine Leads to Allosteric Inhibition of the TEADYap Protein-Protein Interaction. Cell Chem Biol 2019, 26 (3), 378-389 e313.
(17) Zhou, D.; Bum-Erdene, K.; Xu, D.; Liu, D.; Tompkins, D.; Sulaiman, R. S.; Corson, T. W.; Chirgwin, J. M.; Meroueh, S. O. Small molecules inhibit ex vivo tumor growth in bone. Bioorg Med Chem 2018, 26 (23-24), 6128-6134.
(18) Chen, X.; Liu, D.; Zhou, D.; Si, Y.; Xu, D.; Stamatkin, C. W.; Ghozayel, M. K.; Ripsch, M. S.; Obukhov, A. G.; White, F. A.; Meroueh, S. O. Small-molecule CaValpha1CaVbeta antagonist suppresses neuronal voltage-gated calcium-channel trafficking. Proc Natl Acad Sci U S A 2018, 115 (45), E10566-E10575.
(19) Zhou, D.; Springer, M. Z.; Xu, D.; Liu, D.; Hudmon, A.; Macleod, K. F.; Meroueh, S. O. Small molecules inhibit STAT3 activation, autophagy, and cancer cell anchorage-independent growth. Bioorg Med Chem 2017, 25 (12), 2995-3005.
(20) Xu, D.; Si, Y.; Meroueh, S. O. A Computational Investigation of Small-Molecule Engagement of Hot Spots at Protein-Protein Interaction Interfaces. J Chem Inf Model 2017, 57 (9), 2250-2272.
(21) Xu, D.; Li, L.; Zhou, D.; Liu, D.; Hudmon, A.; Meroueh, S. O. Structure-Based Target-Specific Screening Leads to Small-Molecule CaMKII Inhibitors. ChemMedChem 2017, 12 (9), 660-677.
(22) Xu, D.; Bum-Erdene, K.; Si, Y.; Zhou, D.; Ghozayel, M. K.; Meroueh, S. O. Mimicking Intermolecular Interactions of Tight Protein-Protein Complexes for Small-Molecule Antagonists. ChemMedChem 2017, 12 (21), 1794-1809.
(23) Sulaiman, R. S.; Park, B.; Sardar, B.; Si, Y.; Kharwadkar, R.; Mitter, S.; Lee, B.; Sun, W.; Qi, X.; Boulton, M.; et al. Chemical proteomics reveals soluble epoxide hydrolase as a therapeutic target for ocular neovascularization. ACS Chem. Biol. 2017, In press.
(24) Liu, D.; Xu, D.; Liu, M.; Knabe, W. E.; Yuan, C.; Zhou, D.; Huang, M.; Meroueh, S. O. Small Molecules Engage Hot Spots through Cooperative Binding To Inhibit a Tight Protein-Protein Interaction. Biochemistry 2017, 56 (12), 1768-1784.
(25) Xu, D.; Meroueh, S. O. Effect of Binding Pose and Modeled Structures on SVMGen and GlideScore Enrichment of Chemical Libraries. J Chem Inf Model 2016, 56 (6), 1139-1151.
(26) Xu, D.; Jalal, S. I.; Sledge, G. W.; Meroueh, S. O. Small-molecule binding sites to explore protein-protein interactions in the cancer proteome. Mol Biosyst 2016, 12 (10), 3067-3087.
(27) Xu, D.; Wang, B.; Meroueh, S. O. Structure-based computational approaches for small-molecule modulation of protein-protein interactions. Methods Mol Biol 2015, 1278, 77-92.
(28) Liu, D.; Zhou, D.; Wang, B.; Knabe, W. E.; Meroueh, S. O. A New Class of Orthosteric uPAR.uPA Small-Molecule Antagonists Are Allosteric Inhibitors of the uPAR.Vitronectin Interaction. ACS Chemical Biology 2015, 10 (6), 1521-1534.
(29) Yan, C.; Liu, D.; Li, L.; Wempe, M. F.; Guin, S.; Khanna, M.; Meier, J.; Hoffman, B.; Owens, C.; Wysoczynski, C. L.; et al. Discovery and characterization of small molecules that target the GTPase Ral. Nature 2014, 515 (7527), 443-447.
(30) Wang, B.; Buchman, C. D.; Li, L.; Hurley, T. D.; Meroueh, S. O. Enrichment of chemical libraries docked to protein conformational ensembles and application to aldehyde dehydrogenase 2. Journal of Chemical Information and Modeling 2014, 54 (7), 2105-2116.
(31) Peng, X.; Wang, F.; Li, L.; Bum-Erdene, K.; Xu, D.; Wang, B.; Sinn, A. A.; Pollok, K. E.; Sandusky, G. E.; Li, L.; et al. Exploring a structural protein-drug interactome for new therapeutics in lung cancer. Molecular Biosystems 2014, 10 (3), 581-591.
(32) Wang, B.; Li, L.; Hurley, T. D.; Meroueh, S. O. Molecular recognition in a diverse set of protein-ligand interactions studied with molecular dynamics simulations and end-point free energy calculations. Journal of Chemical Information and Modeling 2013, 53 (10), 2659-2670.
(33) Mani, T.; Wang, F.; Knabe, W. E.; Sinn, A. L.; Khanna, M.; Jo, I.; Sandusky, G. E.; Sledge, G. W., Jr.; Jones, D. R.; Khanna, R.; et al. Small-molecule inhibition of the uPAR.uPA interaction: synthesis, biochemical, cellular, in vivo pharmacokinetics and efficacy studies in breast cancer metastasis. Bioorganic & Medicinal Chemistry 2013, 21 (7), 2145-2155.
(34) Mani, T.; Liu, D.; Zhou, D.; Li, L.; Knabe, W. E.; Wang, F.; Oh, K.; Meroueh, S. O. Probing binding and cellular activity of pyrrolidinone and piperidinone small molecules targeting the urokinase receptor. ChemMedChem 2013, 8 (12), 1963-1977.
(35) Zhang, Q.; Zeng, S. X.; Zhang, Y.; Zhang, Y.; Ding, D.; Ye, Q.; Meroueh, S. O.; Lu, H. A small molecule Inauhzin inhibits SIRT1 activity and suppresses tumour growth through activation of p53. EMBO Molecular Medicine 2012, 4 (4), 298-312.
(36) Wang, F.; Eric Knabe, W.; Li, L.; Jo, I.; Mani, T.; Roehm, H.; Oh, K.; Li, J.; Khanna, M.; Meroueh, S. O. Design, synthesis, biochemical studies, cellular characterization, and structure-based computational studies of small molecules targeting the urokinase receptor. Bioorganic & Medicinal Chemistry 2012, 20 (15), 4760-4773.
(37) Piekarz, A. D.; Due, M. R.; Khanna, M.; Wang, B.; Ripsch, M. S.; Wang, R.; Meroueh, S. O.; Vasko, M. R.; White, F. A.; Khanna, R. CRMP-2 peptide mediated decrease of high and low voltage-activated calcium channels, attenuation of nociceptor excitability, and anti-nociception in a model of AIDS therapy-induced painful peripheral neuropathy. Molecular Pain 2012, 8 (1), 54.
(38) Wang, F.; Li, J.; Sinn, A. L.; Knabe, W. E.; Khanna, M.; Jo, I.; Silver, J. M.; Oh, K.; Li, L.; Sandusky, G. E.; et al. Virtual screening targeting the urokinase receptor, biochemical and cell-based studies, synthesis, pharmacokinetic characterization, and effect on breast tumor metastasis. J Med Chem 2011, 54 (20), 7193-7205.
(39) Shi, Q.; Meroueh, S. O.; Fisher, J. F.; Mobashery, S. A computational evaluation of the mechanism of penicillin-binding protein-catalyzed cross-linking of the bacterial cell wall. Journal of the American Chemical Society 2011, 133 (14), 5274-5283.
(40) Parajuli, B.; Kimble-Hill, A. C.; Khanna, M.; Ivanova, Y.; Meroueh, S.; Hurley, T. D. Discovery of novel regulators of aldehyde dehydrogenase isoenzymes. Chemico-Biological Interactions 2011, 191 (1-3), 153-158.
(41) Li, L.; Wang, B.; Meroueh, S. O. Support vector regression scoring of receptor-ligand complexes for rank-ordering and virtual screening of chemical libraries. Journal of Chemical Information and Modeling 2011, 51 (9), 2132-2138.
(42) Li, L.; Khanna, M.; Jo, I.; Wang, F.; Ashpole, N. M.; Hudmon, A.; Meroueh, S. O. Target-specific support vector machine scoring in structure-based virtual screening: computational validation, in vitro testing in kinases, and effects on lung cancer cell proliferation. Journal of Chemical Information and Modeling 2011, 51 (4), 755-759.
(43) Khanna, M.; Wang, F.; Jo, I.; Knabe, W. E.; Wilson, S. M.; Li, L.; Bum-Erdene, K.; Li, J.; G, W. S.; Khanna, R.; Meroueh, S. O. Targeting multiple conformations leads to small molecule inhibitors of the uPAR.uPA protein-protein interaction that block cancer cell invasion. ACS Chemical Biology 2011, 6 (11), 1232-1243.
(44) Khanna, M.; Chelladurai, B.; Gavini, A.; Li, L.; Shao, M.; Courtney, D.; Turchi, J. J.; Matei, D.; Meroueh, S. Targeting ovarian tumor cell adhesion mediated by tissue transglutaminase. Molecular Cancer Therapeutics 2011, 10 (4), 626-636.
(45) Brittain, J. M.; Duarte, D. B.; Wilson, S. M.; Zhu, W.; Ballard, C.; Johnson, P. L.; Liu, N.; Xiong, W.; Ripsch, M. S.; Wang, Y.; et al. Suppression of inflammatory and neuropathic pain by uncoupling CRMP-2 from the presynaptic Ca(2)(+) channel complex. Nature Medicine 2011, 17 (7), 822-829.
(46) Wang, Y.; Brittain, J. M.; Jarecki, B. W.; Park, K. D.; Wilson, S. M.; Wang, B.; Hale, R.; Meroueh, S. O.; Cummins, T. R.; Khanna, R. In silico docking and electrophysiological characterization of lacosamide binding sites on collapsin response mediator protein-2 identifies a pocket important in modulating sodium channel slow inactivation. Journal of Biological Chemistry 2010, 285 (33), 25296-25307.
(47) Li, L.; Li, J.; Khanna, M.; Jo, I.; Baird, J. P.; Meroueh, S. O. Docking Small Molecules to Predicted Off-Targets of the Cancer Drug Erlotinib Leads to Inhibitors of Lung Cancer Cell Proliferation with Suitable In vitro Pharmacokinetic Properties. ACS Medicinal Chemistry Letters 2010, 1 (5), 229-233.
(48) Li, L.; Bum-Erdene, K.; Baenziger, P. H.; Rosen, J. J.; Hemmert, J. R.; Nellis, J. A.; Pierce, M. E.; Meroueh, S. O. BioDrugScreen: a computational drug design resource for ranking molecules docked to the human proteome. Nucleic Acids Research 2010, 38 (Database issue), D765-773.
(49) Xue, B.; Li, L.; Meroueh, S. O.; Uversky, V. N.; Dunker, A. K. Analysis of structured and intrinsically disordered regions of transmembrane proteins. Molecular Biosystems 2009, 5 (12), 1688-1702.
(50) Matute, J. D.; Arias, A. A.; Wright, N. A.; Wrobel, I.; Waterhouse, C. C.; Li, X. J.; Marchal, C. C.; Stull, N. D.; Lewis, D. B.; Steele, M.; et al. A new genetic subgroup of chronic granulomatous disease with autosomal recessive mutations in p40 phox and selective defects in neutrophil NADPH oxidase activity. Blood 2009, 114 (15), 3309-3315.
(51) Liang, S.; Meroueh, S. O.; Wang, G.; Qiu, C.; Zhou, Y. Consensus scoring for enriching near-native structures from protein-protein docking decoys. Proteins 2009, 75 (2), 397-403.
(52) Liang, S.; Li, L.; Hsu, W. L.; Pilcher, M. N.; Uversky, V.; Zhou, Y.; Dunker, A. K.; Meroueh, S. O. Exploring the molecular design of protein interaction sites with molecular dynamics simulations and free energy calculations. Biochemistry 2009, 48 (2), 399-414.
(53) Li, L.; Liang, S.; Pilcher, M. M.; Meroueh, S. O. Incorporating receptor flexibility in the molecular design of protein interfaces. Protein Engineering Design and Selection 2009, 22 (9), 575-586.
(54) Shi, Q.; Meroueh, S. O.; Fisher, J. F.; Mobashery, S. Investigation of the mechanism of the cell wall DD-carboxypeptidase reaction of penicillin-binding protein 5 of Escherichia coli by quantum mechanics/molecular mechanics calculations. Journal of the American Chemical Society 2008, 130 (29), 9293-9303.
(55) Li, L.; Meroueh, S. O. Receptor-Ligand Interactions in Biological Systems. In Encyclopedia for the Life Sciences, John Wiley and Sons, 2008; p p. 19.
(56) Li, L.; Dantzer, J. J.; Nowacki, J.; O’Callaghan, B. J.; Meroueh, S. O. PDBcal: a comprehensive dataset for receptor-ligand interactions with three-dimensional structures and binding thermodynamics from isothermal titration calorimetry. Chemical Biology and Drug Discovery 2008, 71 (6), 529-532.
(57) Jewell, J. L.; Oh, E.; Bennett, S. M.; Meroueh, S. O.; Thurmond, D. C. The tyrosine phosphorylation of Munc18c induces a switch in binding specificity from syntaxin 4 to Doc2beta. Journal of Biological Chemistry 2008, 283 (31), 21734-21746.
(58) Zhang, W.; Shi, Q.; Meroueh, S. O.; Vakulenko, S. B.; Mobashery, S. Catalytic mechanism of penicillin-binding protein 5 of Escherichia coli. Biochemistry 2007, 46 (35), 10113-10121.
(59) Rosenblum, G.; Meroueh, S.; Toth, M.; Fisher, J. F.; Fridman, R.; Mobashery, S.; Sagi, I. Molecular structures and dynamics of the stepwise activation mechanism of a matrix metalloproteinase zymogen: challenging the cysteine switch dogma. Journal of the American Chemical Society 2007, 129 (44), 13566-13574.
(60) Meroueh, S. O.; Mobashery, S. Conformational transition in the aminoacyl t-RNA site of the bacterial ribosome both in the presence and absence of an aminoglycoside antibiotic. Chemical Biology & Drug Design 2007, 69 (5), 291-297.
(61) Meroueh, S. O.; Cha, J. Y.; Mobashery, S. Inhibition of Class A beta-Lactamases. In Enzyme-Mediated Resistance to Antibiotics: Mechanisms, Dissemination, and Prospects for Inhibition, Bonomo, R. A. Ed.; ASM Press, 2007.
(62) Li, L.; Uversky, V. N.; Dunker, A. K.; Meroueh, S. O. A computational investigation of allostery in the catabolite activator protein. Journal of the American Chemical Society 2007, 129 (50), 15668-15676.
(63) Rekharsky, M.; Hesek, D.; Lee, M.; Meroueh, S. O.; Inoue, Y.; Mobashery, S. Thermodynamics of interactions of vancomycin and synthetic surrogates of bacterial cell wall. Journal of the American Chemical Society 2006, 128 (24), 7736-7737.
(64) Rahaman, A.; Song, H.; Wang, A. X.; Meroueh, S. O.; Hase, W. L. Chemical Dynamics Simulations of Energy Transfer and Unimolecular Decomposition in Collision-Induced Dissociation (CID) and Surface-Induced Dissociation (SID). In Principles of Mass Spectrometry Applied to Biomolecules, Litschitz, C., Laskin, J. Eds.; Wiley, 2006; pp 379-432.
(65) Murray, J. B.; Meroueh, S. O.; Russell, R. J.; Lentzen, G.; Haddad, J.; Mobashery, S. Interactions of designer antibiotics and the bacterial ribosomal aminoacyl-tRNA site. Chemistry and Biology 2006, 13 (2), 129-138.
(66) Meroueh, S. O.; Bencze, K. Z.; Hesek, D.; Lee, M.; Fisher, J. F.; Stemmler, T. L.; Mobashery, S. Three-dimensional structure of the bacterial cell wall peptidoglycan. Proceedings of the National Academy of Sciences of the United States of America 2006, 103 (12), 4404-4409.
(67) Hesek, D.; Toth, M.; Meroueh, S. O.; Brown, S.; Zhao, H.; Sakr, W.; Fridman, R.; Mobashery, S. Design and characterization of a metalloproteinase inhibitor-tethered resin for the detection of active MMPs in biological samples. Chemistry and Biology 2006, 13 (4), 379-386.
(68) Toth, M.; Osenkowski, P.; Hesek, D.; Brown, S.; Meroueh, S.; Sakr, W.; Mobashery, S.; Fridman, R. Cleavage at the stem region releases an active ectodomain of the membrane type 1 matrix metalloproteinase. Biochemical Journal 2005, 387 (Pt 2), 497-506.
(69) Osenkowski, P.; Meroueh, S. O.; Pavel, D.; Mobashery, S.; Fridman, R. Mutational and structural analyses of the hinge region of membrane type 1-matrix metalloproteinase and enzyme processing. Journal of Biological Chemistry 2005, 280 (28), 26160-26168.
(70) Meroueh, S. O.; Fisher, J. F.; Schlegel, H. B.; Mobashery, S. Ab initio QM/MM study of class A beta-lactamase acylation: dual participation of Glu166 and Lys73 in a concerted base promotion of Ser70. Journal of the American Chemical Society 2005, 127 (44), 15397-15407.
(71) Li, J.; Cross, J. B.; Vreven, T.; Meroueh, S. O.; Mobashery, S.; Schlegel, H. B. Lysine carboxylation in proteins: OXA-10 beta-lactamase. Proteins 2005, 61 (2), 246-257.
(72) Lee, M.; Bernardo, M. M.; Meroueh, S. O.; Brown, S.; Fridman, R.; Mobashery, S. Synthesis of chiral 2-(4-phenoxyphenylsulfonylmethyl)thiiranes as selective gelatinase inhibitors. Organic Letters 2005, 7 (20), 4463-4465.
(73) Ikejiri, M.; Bernardo, M. M.; Meroueh, S. O.; Brown, S.; Chang, M.; Fridman, R.; Mobashery, S. Design, synthesis, and evaluation of a mechanism-based inhibitor for gelatinase A. Journal of Organic Chemistry 2005, 70 (14), 5709-5712.
(74) Fisher, J. F.; Meroueh, S. O.; Mobashery, S. Bacterial resistance to beta-lactam antibiotics: compelling opportunism, compelling opportunity. Chemical Reviews 2005, 105 (2), 395-424.
(75) Cross, J. B.; Vreven, T.; Meroueh, S. O.; Mobashery, S.; Schlegel, H. B. Computational investigation of irreversible inactivation of the zinc-dependent protease carboxypeptidase A. Journal of Physical Chemistry B 2005, 109 (10), 4761-4769.
(76) Lim, I. T.; Meroueh, S. O.; Lee, M.; Heeg, M. J.; Mobashery, S. Strategy in inhibition of cathepsin B, a target in tumor invasion and metastasis. Journal of the American Chemical Society 2004, 126 (33), 10271-10277.
(77) Kim, C.; Haddad, J.; Vakulenko, S. B.; Meroueh, S. O.; Wu, Y.; Yan, H.; Mobashery, S. Fluorinated aminoglycosides and their mechanistic implication for aminoglycoside 3′-phosphotransferases from Gram-negative bacteria. Biochemistry 2004, 43 (9), 2373-2383.
(78) Golemi-Kotra, D.; Meroueh, S. O.; Kim, C.; Vakulenko, S. B.; Bulychev, A.; Stemmler, A. J.; Stemmler, T. L.; Mobashery, S. The importance of a critical protonation state and the fate of the catalytic steps in class A beta-lactamases and penicillin-binding proteins. Journal of Biological Chemistry 2004, 279 (33), 34665-34673.
(79) Brown, S.; Meroueh, S. O.; Fridman, R.; Mobashery, S. Quest for selectivity in inhibition of matrix metalloproteinases. Current Topics in Medicinal Chemistry 2004, 4 (12), 1227-1238.
(80) Birck, C.; Cha, J. Y.; Cross, J.; Schulze-Briese, C.; Meroueh, S. O.; Schlegel, H. B.; Mobashery, S.; Samama, J. P. X-ray crystal structure of the acylated beta-lactam sensor domain of BlaR1 from Staphylococcus aureus and the mechanism of receptor activation for signal transduction. Journal of the American Chemical Society 2004, 126 (43), 13945-13947.
(81) Wilkinson, A. S.; Bryant, P. K.; Meroueh, S. O.; Page, M. G.; Mobashery, S.; Wharton, C. W. A dynamic structure for the acyl-enzyme species of the antibiotic aztreonam with the Citrobacter freundii beta-lactamase revealed by infrared spectroscopy and molecular dynamics simulations. Biochemistry 2003, 42 (7), 1950-1957.
(82) Wang, J.; Meroueh, S. O.; Wang, Y.; Hase, W. L. Efficiency of energy transfer in protonated diglycine and dialanine SID. International Journal of Mass Spectrometry 2003, 230 (1), 57-63.
(83) Song, K.; Meroueh, O.; Hase, W. L. Dynamics of Cr(CO)[sub 6][sup +] collisions with hydrogenated surfaces. The Journal of Chemical Physics 2003, 118 (6), 2893.
(84) Rosenblum, G.; Meroueh, S. O.; Kleifeld, O.; Brown, S.; Singson, S. P.; Fridman, R.; Mobashery, S.; Sagi, I. Structural basis for potent slow binding inhibition of human matrix metalloproteinase-2 (MMP-2). Journal of Biological Chemistry 2003, 278 (29), 27009-27015.
(85) Meroueh, S. O.; Minasov, G.; Lee, W.; Shoichet, B. K.; Mobashery, S. Structural aspects for evolution of beta-lactamases from penicillin-binding proteins. Journal of the American Chemical Society 2003, 125 (32), 9612-9618.
(86) Golemi-Kotra, D.; Cha, J. Y.; Meroueh, S. O.; Vakulenko, S. B.; Mobashery, S. Resistance to beta-lactam antibiotics and its mediation by the sensor domain of the transmembrane BlaR signaling pathway in Staphylococcus aureus. Journal of Biological Chemistry 2003, 278 (20), 18419-18425.
(87) Fridman, R.; Toth, M.; Chvyrkova, I.; Meroueh, S. O.; Mobashery, S. Cell surface association of matrix metalloproteinase-9 (gelatinase B). Cancer Metastasis Reviews 2003, 22 (2-3), 153-166.
(88) Toth, M.; Hernandez-Barrantes, S.; Osenkowski, P.; Bernardo, M. M.; Gervasi, D. C.; Shimura, Y.; Meroueh, O.; Kotra, L. P.; Galvez, B. G.; Arroyo, A. G.; et al. Complex pattern of membrane type 1 matrix metalloproteinase shedding. Regulation by autocatalytic cells surface inactivation of active enzyme. Journal of Biological Chemistry 2002, 277 (29), 26340-26350.
(89) Meroueh, S. O.; Wang, Y.; Hase, W. L. Direct Dynamics Simulations of Collision- and Surface-Induced Dissociation of N-Protonated Glycine. Shattering Fragmentation†. The Journal of Physical Chemistry A 2002, 106 (42), 9983-9992.
(90) Meroueh, S. O.; Roblin, P.; Golemi, D.; Maveyraud, L.; Vakulenko, S. B.; Zhang, Y.; Samama, J. P.; Mobashery, S. Molecular dynamics at the root of expansion of function in the M69L inhibitor-resistant TEM beta-lactamase from Escherichia coli. Journal of the American Chemical Society 2002, 124 (32), 9422-9430.
(91) Meroueh, O.; Hase, W. L. Dynamics of energy transfer in peptide-surface collisions. Journal of the American Chemical Society 2002, 124 (7), 1524-1531.
(92) Maveyraud, L.; Golemi-Kotra, D.; Ishiwata, A.; Meroueh, O.; Mobashery, S.; Samama, J. P. High-resolution X-ray structure of an acyl-enzyme species for the class D OXA-10 beta-lactamase. Journal of the American Chemical Society 2002, 124 (11), 2461-2465.
(93) Sun, L.; de Sainte Claire, P.; Meroueh, O.; Hase, W. L. Dynamics of Ar+CH[sub 4]/Ni{111} collision-induced desorption. The Journal of Chemical Physics 2001, 114 (1), 535.
(94) Meroueh, O.; Hase, W. L. Effect of surface stiffness on the efficiency of surface-induced dissociation. Physical Chemistry Chemical Physics 2001, 3 (12), 2306-2314.
(95) Sawilowsky, E. F.; Meroueh, O.; Schlegel, H. B.; Hase, W. L. Structures, Energies, and Electrostatics for Methane Complexed with Alumina Clusters. The Journal of Physical Chemistry A 2000, 104 (21), 4920-4927.
(96) Meroueh, O.; Hase, W. L. Energy transfer pathways in the collisional activation of peptides. International Journal of Mass Spectrometry 2000, 201 (1-3), 233-244.