My lab studies the conformation-biological activity relationships in peptides/proteins that inhibit cancer growth, such as cutaneous squamous cell carcinoma and glioblastoma. We also examine the description of solution structure of polypeptides by Molecular Dynamics simulations and vibrational and/or electronic circular dichroism spectropolarimetry and the effects of weakly polar interactions on peptide/protein structures.
Cancer Research Area(s)
Brain Cancer
Drug Discovery and Development
Skin Cancer
Research Focus
Conformation-biological activity relationships in peptides/proteins including GnRH, gastrin, antibacterial peptides, amyloidogenic peptides and chlorotoxins. Structural characterization of prestin. Inhibtion of biological activity of 14-3-3e protein. Description of solution structure of polypeptides by Molecular Dynamics simulations and ab initio quantum chemical calculations. Effects of weakly polar interactions on peptide/protein structures using the above theoretical methods and vibrational and/or electronic circular dichroism spectroscopy.
American Peptide Symposia Gembitsky Dmitry S., etal Modulation of NK-2 receptor associated G-protein signaling by alternation of the aromatic residue at position six in neurokinin A analogs.in Peptides for the New Millenium Fields [Book Chapter] 2019
Understanding Biology Using Peptides Herédi-Szabó Krisztina, etal Antiproliferative Effect of Lamprey Gonadotropin-Releasing Hormone III on Cancer Cells from Non-Reproductive Organs [Book Chapter] 2018
Lovas Sandor, etal Misfolding and Oligomerization of Amyloid Beta(1-40) 2015
Peptides: The Wave of the Future Ahmed Shawn I., etal Role of the C-terminal and Central Region of Gastrin for Recognition by the Human CCK2 Receptor [Book Chapter] 2001
Peptides: The Wave of the Future Tóth Gergely, etal Helix stabilizing aromatic-backbone interactions [Book Chapter] 2001
Peptides: The Wave of the Future Wibowo Felicitas I., etal Human colon cancers recognize N-carboxymethyl gastrin by a non-CCK1, non-CCK2 receptor [Book Chapter] 2001
Peptides: The Wave of the Future Otvos Laszlo, etal The Proline-rich antibacterial peptide family inhibits chaperone-assisted protein folding [Book Chapter] 2001
Lovas Sándor, etal Molecular Modeling of Neuropeptides - 18 [Book Chapter] 1997
Murnin Mark, etal Organ/Tissue Preparations for the Assessment of Agonist/Antagonist Activity - 30 [Book Chapter] 1997
Articles
Mezo I., etal Erratum 1998
Publications
FEBS letters Kamayirese Seraphine, etal Ligand recognition by 14‐3‐3 proteins requires negative charges but not necessarily phosphorylation 2025
Science advances Vijayakumar Sarath, etal In silico transcriptome screens identify epidermal growth factor receptor inhibitors as therapeutics for noise-induced hearing loss 10:25, p. eadk2299 2024
International journal of molecular sciences Kamayirese Seraphine, etal The Development of CDC25A-Derived Phosphoseryl Peptides That Bind 14-3-3ε with High Affinities 25:9, p. 4918 2024
ACS omega Kamayirese Seraphine, etal Optimizing Phosphopeptide Structures That Target 14-3-3ε in Cutaneous Squamous Cell Carcinoma 2024
The Journal of biological chemistry Rudd Justin C., etal Membrane structure and internalization dynamics of human Flower isoforms hFWE3 and hFWE4 indicate a conserved endocytic role for hFWE4, p. 104945 - 104945 2023
Burns William A, etal Dynamic Solvent Accessible Surface Areas of Proteogenic Amino Acids as a Function of Explored Phi,Psi Dihedral Angle Space 2023
The Journal of biological chemistry Rudd Justin, etal Abstract 1432: Structural determination and internalization dynamics of human Flower isoforms 299:3, p. 103795 2023
Oncotarget Holmes Thomas R., etal Targeting 14-3-3ε-CDC25A interactions to trigger apoptotic cell death in skin cancer 11:35, p. 3267 - 3278 2020
International journal of molecular sciences Voit-Ostricki Leah, etal Conformation and domain movement analysis of human matrix metalloproteinase-2 20:17 2019
Proteins Watts C. R., etal Structural Properties of Amyloid Beta(1-40) Dimer Explored by Replica Exchange Molecular Dynamics Simulations 85:6, p. 1024 - 1045 2017
Protein and Peptide Letters Knappe D., etal Proline-Rich Antimicrobial Peptides Optimized for Binding to Escherichia Coli Chaperone DnaK 23:12, p. 1061 - 1071 2016
Journal of Biological Chemistry Lovas Sandor, etal Glutamate Transporter Homolog-based Model Predicts That Anion-pi Interaction Is the Mechanism for the Voltage-dependent Response of Prestin 290:40, p. 24326 - 24339 2015
Biopolymers Otvos L., etal Optimization of adiponectin-derived peptides for inhibition of cancer cell growth and signaling 104:3, p. 155 - 166 2015
Frontiers in Chemistry Otvos Laszlo,Jr, etal Development of second generation peptides modulating cellular adiponectin receptor responses 2, p. Article 93 (15 pages) 2014
Hearing Research He David Z. Z., etal Prestin at year 14: progress and prospect 311, p. 25 - 35 2014
Current Pharmaceutical Design Hatfield Marcus P. D., etal Conformational sampling techniques 20:20, p. 3303 - 3313 2014
Journal of Physical Chemistry. B Lovas Sandor, Molecular Mechanism of Misfolding and Aggregation of Amyloid Beta (13-23) 117:20, p. 6175 - 6186 2013
Journal of Cell Science Tan Xiaodong, etal A motif of eleven amino acids is a structural adaptation that facilitates motor capability of eutherian prestin 125:4, p. 1039 - 1047 2012
Journal of Peptide Science Palermo N. Y., etal Hexapeptide Fragment of Carcinoembryonic Antigen which Acts as an Agonist of Heterogeneous Ribonucleoprotein, p. 252 - 260 2012
Biopolymers Otvos Laszlo, Jr., etal Peptide-Based leptin Receptor Antagonists for Cancer Treatment and Appetite Regulation 96:2, p. 117 - 125 2011
Journal of Physical Chemistry. B Hatfield M. P., etal The CLN025 decapeptide retains a β-hairpin conformation in urea and guanidinium chloride 115:17, p. 4971 - 4981 2011
Biopolymers Hatfield M. P., etal VCD spectroscopic properties of the beta-hairpin forming miniprotein CLN025 in various solvents 93:5, p. 442 - 450 2010
Peptides Copps Jeffrey, etal Bioactivity of analogs of the N-terminal region of gastrin-17 30:12, p. 2263 - 2267 2009
Peptides Copps Jeffrey, etal The structure of bioactive analogs of the N-terminal region of gastrin-17 30:12, p. 2250 - 2262 2009
Biopolymers Csontos Jozsef, etal The role of weakly polar and H-bonding interactions in the stabilization of the conformers of FGG, WGG, and YGG: An aqueous phase computational study 89:11, p. 1002 - 1011 2008
Journal of Computational Chemistry Komáromi István, etal Development of glycyl radical parameters for the OPLS-AA/L force field 29:12, p. 1999 - 2009 2008
Journal of Computational Chemistry Csontos J., etal The effect of electron correlation on the conformational space of melatonin 29:9, p. 1466 - 1471 2008
International Journal of Quantum Chemistry Palermo N. Y., etal Role of aromatic residues in stabilizing the secondary and tertiary structure of avian pancreatic polypeptide 108:4, p. 814 - 819 2008
Methods in Molecular Biology Copps J., etal Molecular dynamics simulations of peptides 494, p. 115 - 126 2008
J.Comput.Chem. Csontos J., etal Calculation of weakly polar interaction energies in polypeptides using density functional and local Moller-Plesset perturbation theory 29:8, p. 1344 - 1352 2008
International Journal of Peptide Research and Therapeutics Ötvös Ferenc, etal Synthesis and structure-activity relationship of [Nle10] neurokinin A (4-10) analogs with constraint in the backbone and at position six 13:1-2, p. 329 - 336 2007
Journal of Computational Chemistry Palermo N. Y., etal Aromatic-backbone interactions in model alpha-helical peptides 28:7, p. 1208 - 1214 2007
Protein and Peptide Letters Borics Attila, etal Conformational analysis of Ac-NPGQ-NH2 and Ac-VPaH-NH 2 by vibrational circular dichroism spectroscopy combined with molecular dynamics and quantum chemical calculations 14:4, p. 353 - 359 2007
Peptides Copps Jeffrey, etal Gastrin 1-6 promotes growth of colon cancer cells through non-CCK receptors 28:3, p. 632 - 635 2007
Peptides Copps J., etal Gastrin 1-6 promotes growth of colon cancer cells through non-CCK receptors 28:3, p. 632 - 635 2007
Biopolymers Borics A., etal Optical spectroscopic elucidation of beta-turns in disulfide bridged cyclic tetrapeptides 85:1, p. 1 - 11 2007
Biopolymers Copps Jeffrey D., etal VCD spectroscopic and molecular dynamics analysis of the Trp-cage miniprotein TC5b 88:3, p. 427 - 437 2007
Journal of Peptide Science Heredi-Szabo K., etal Is IGnRH-III the most potent GnRH analog containing only natural amino acids that specifically inhibits the growth of human breast cancer cells? 12:11, p. 714 - 720 2006
Owen M., etal The conformational preference of Ca-centered protein radicals. 2006
Biopolymers Borics A., etal Optical spectroscopic elucidation of different types of b-turns in disulfide bridged cyclic tetrapeptides 2006
Biopolymers Copps J., etal Avian pancreatic polypeptide fragments refold to native aPP conformation when combined in solution: A CD and VCD study 83, p. 32 - 38 2006
Peptides Ahmed Shawn, etal Importance of N- and C-terminal regions of gastrin-Gly for preferential binding to high and low affinity gastrin-Gly receptors 26:7, p. 1207 - 1212 2005
Peptides Ahmed S., etal Importance of N- and C-terminal regions of gastrin-Gly for preferential binding to high and low affinity gastrin-Gly receptors 26:7, p. 1207 - 1212 2005
Journal of Physical Chemistry A Chass Gregory A., etal Characterization of the conformational probability of N-acetyl- Phenylalanyl-NH 2 by RHF, DFT, and MP2 computation and AIM analyses, confirmed by jet-cooled infrared data 109:24, p. 5289 - 5302 2005
Peptides Herédi-Szabó Krisztina, etal Importance of the central region of lamprey gonadotropin-releasing hormone III in the inhibition of breast cancer cell growth 26:3, p. 419 - 422 2005
FEBS Letters Ahmed Shawn, etal High and low affinity receptors mediate growth effects of gastrin and gastrin-Gly on DLD-1 human colonic carcinoma cells 556:1-3, p. 199 - 203 2004
FEBS Letters Ahmed Shawn I., etal High and low affinity receptors mediate growth effects of gastrin and gastrin-Gly on DLD-1 human colonic carcinoma cells 556:3-Jan, p. 199 - 203 2004
Journal of Molecular Structure: THEOCHEM Sahai Michelle A., etal A modular numbering system of selected oligopeptides for molecular computations 666-667, p. 169 - 218 2003
Journal of Molecular Structure: THEOCHEM Lau Suzanne K., etal An exploratory ab initio conformational analysis of selected fragments of nicotinamide adenine dinucleotide (NAD+). Part I 666-667, p. 415 - 429 2003
Journal of Molecular Structure. Theochem Sahai Michelle A., etal A modular numbering system of selected oligopeptides for molecular computations: using pre-computed amino acid building blocks 666-667, p. 169 - 218 2003
Journal of Physical Chemistry B Bhattacharjee Samita, etal Influence of tyrosine on the electronic circular dichroism of helical peptides 107:33, p. 8682 - 8688 2003
The Journal of Physical Chemistry B Bhattacharjee Samita, etal Influence of Tyrosine on the Electronic Circular Dichroism of Helical Peptides 107:33, p. 8682 - 8688 2003
Journal of Physical Chemistry. B Bhattacharjee S., etal Influence of Tyrosine on the Electronic Circular Dichroism of Helical Peptides 107:33, p. 8682 - 8688 2003
Biopolymers Borics Attila, etal Fourier transform vibrational circular dichroism as a decisive tool for conformational studies of peptides containing tyrosyl residues 72:1, p. 21 - 24 2003
Journal of the Chemical Society. Perkin Transactions 2 Keglevich György, etal Structure and stability of oxaphosphetes formed as intermediates in the reaction of tertiary phosphine oxides and acetylenic derivatives 2:10, p. 1645 - 1646 2002
European Journal of Biochemistry Kragol G., etal Identification of crucial residues for the antibacterial activity of the proline-rich peptide, pyrrhocoricin 269:17, p. 4226 - 4237 2002
European Journal of Biochemistry Kragol Goran, etal Identification of crucial residues for the antibacterial activity of the proline-rich peptide, pyrrhocoricin 269:17, p. 4226 - 4237 2002
Journal of the American Chemical Society Toth Gergely, etal Investigation of aromatic-backbone amide interactions in the model peptide acetyl-phe-gly-gly-N-methyl amide using molecular dynamics simulations and protein database search 123:47, p. 11782 - 11790 2001
Journal of the American Chemical Society Tóth G., etal Investigation of aromatic-backbone amide interactions in the model peptide Acetyl-Phe-Gly-Gly-N-Methyl amide using molecular dynamics simulations and protein database search 123:47, p. 11782 - 11790 2001
The journal of peptide research : official journal of the American Peptide Society Ahmed S I, etal Importance of the C-terminal Phenylalanine of Gastrin for Binding to the Human CCK2 Receptor 58:4, p. 332 - 337 2001
Protein Engineering Toth Gergely, etal Stabilization of local structures by pi-CH and aromatic-backbone amide interactions involving prolyl and aromatic residues 14:8, p. 543 - 547 2001
Journal of Biomolecular Structure & Dynamics Watts Charles R., etal Conformational space comparison of GnRH and IGnRH-III using molecular dynamics, cluster analysis and Monte Carlo thermodynamic integration 18:5, p. 733 - 748 2001
British Journal of Cancer Murphy Richard F., etal Pancreatic cancer cells require an EGF receptor-mediated autocrine pathway for proliferation in serum-free conditions 84:7, p. 926 - 935 2001
Biochemistry Kragol G., etal The antibacterial peptide pyrrhocoricin inhibits the ATPase actions of DnaK and prevents chaperone-assisted protein folding 40:10, p. 3016 - 3026 2001
Biochemistry Kragol G., etal The antibacterial peptide pyrrhocoricin inhibits the ATPase actions of DnaK and prevents chaperone-assisted protein folding 40:10, p. 3016 - 3026 2001
Journal of Biomolecular Structure and Dynamics Watts Charles R., etal Conformational space comparison of GnRH and lGnRH-III using molecular dynamics, cluster analysis and Monte Carlo thermodynamic integration 18:5, p. 733 - 748 2001
Protein Engineering Tóth G., etal Stabilization of local structures by π-CH and aromatic-backbone amide interactions involving prolyl and aromatic residues 14:8, p. 543 - 547 2001
Letters in Peptide Science Bozso Z., etal Difficulties in coupling to conformationally constrained aromatic amino acids 7:3, p. 157 - 163 2000
Biochemistry Otvos L., etal Interaction between heat shock proteins and antimicrobial peptides 39:46, p. 14150 - 14159 2000
Cell Proliferation Kalnay A., etal Influence on antiproliferative activity of structural modification and conjugation of gonadotropin-releasing hormone (GnRH) analogues 33:5, p. 275 - 285 2000
Journal of Medicinal Chemistry Gembitsky Dmitry S., etal Importance of the aromatic residue at position 6 of [Nle10]neurokinin A(4-10) for binding to the NK-2 receptor and receptor activation 42:15, p. 3004 - 3007 1999
Journal of Peptide Research Ötvös F., etal Coupling difficulty following replacement of Tyr with HOTic during synthesis of an analog of an EGF B-loop fragment 53:3, p. 302 - 307 1999
Proteins: Structure, Function and Genetics Watts Charles R., etal Molecular dynamics simulations of epidermal growth factor and transforming growth factor-α structures in water 33:3, p. 396 - 407 1998
Journal of Peptide Research Lovas Sándor, etal Direct anticancer activity of gonadotropin-releasing hormone-III 52:5, p. 384 - 389 1998
Methods in molecular biology (Clifton, N.J.) Tóth G., etal Tritium labeling of neuropeptides. 73, p. 219 - 230 1997
Methods in molecular biology (Clifton, N.J.) Lovas S., etal Molecular modeling of neuropeptides. 73, p. 209 - 217 1997
Methods in molecular biology (Clifton, N.J.) Murnin M., etal Organ/tissue preparations for the assessment of agonist/antagonist activity. 73, p. 343 - 352 1997
Helvetica Chimica Acta Ötvös Ferenc, etal 13. Synthesis and tritium labelling of 6β-amino-4,5α-epoxyraorphinans and their 14-hydroxy derivatives as potential affinity labelling probes with μ opioid agonist activity 79:1, p. 133 - 136 1996
European Journal of Biochemistry Szendrei Gyorgyi I., etal Aspartate‐Bond Isomerization Affects the Major Conformations of Synthetic Peptides 226:3, p. 917 - 924 1994
Journal of Molecular Structure Lovas Sándor, etal Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method 311, p. 297 - 304 1994
Journal of Molecular Structure: THEOCHEM Lovas Sándor, etal Solvated structure analysis of a conformationally restricted analogue of phenylalanine in a dipeptide model by the AM1-SM2 method 311, p. 297 - 304 1994
Biochemical Society Transactions Lovas S., etal Structure-activity relationships of para-substituted Phe analogues of [Nle10]NKA(4-10) 22:1, p. 5S 1994
Peptides Badgery-Parker Tim, etal Receptor binding profile of neuropeptide γ and its fragments 14:4, p. 771 - 775 1993
Journal of Molecular Structure. Theochem Borics Attila, etal The benefits of a pre-computed amino acid structure database in quantum chemical geometry optimizations of β-turns of peptides 666-667:0, p. 355 - 359 -0001