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1

Theoretical prediction of drug-receptor interactions

Frecer, Vladimir

Journal:

Drug Metabolism and Drug Interactions

Year:

2011

Language:

english

File:

PDF, 1.68 MB

english, 2011

2

Ab initio studies of aromatic-aromatic and aromatic-polar interactions in the binding of substrate and inhibitor to dihydrofolate reductase

ANNE-MARIE SAPSE, BARRY S. SCHWEITZER, ADAM P. DICKER, JOSEPH R. BERTINO, VLADIMIR FRECER

Journal:

Chemical Biology & Drug Design

Year:

1992

Language:

english

File:

PDF, 436 KB

english, 1992

3

A molecular reactivity template for cannabinoid analgesic activity

Patricia H. Reggio, Vladimir Frecer, Aleksander P. Mazurek

Journal:

International Journal of Quantum Chemistry

Year:

1990

Language:

english

File:

PDF, 703 KB

english, 1990

4

Temperature dependence of estrogen binding: importance of a subzone in the ligand binding domain of a novel piscine estrogen receptor

Nguan Soon Tan, Vladimir Frecer, Toong Jin Lam, Jeak Ling Ding

Journal:

Biochimica et Biophysica Acta (BBA) - Molecular Cell Research

Year:

1999

Language:

english

File:

PDF, 890 KB

english, 1999

5

Experimental validation of specificity of the squamous cell carcinoma antigen-immunoglobulin M (SCCA-IgM) assay in patients with cirrhosis

Zuin, Jessica, Veggiani, Gianluca, Pengo, Paolo, Gallotta, Andrea, Biasiolo, Alessandra, Tono, Natascia, Gatta, Angelo, Pontisso, Patrizia, Toth, Radovan, Cerin, Dean, Frecer, Vladimir, Meo, Sabrina,

Journal:

Clinical Chemistry and Laboratory Medicine

Year:

2010

Language:

english

File:

PDF, 257 KB

english, 2010

6

The extended polarizable continuum model for calculation of solvent effects

S. Miertuš, V. Frecer, M. Májeková

Journal:

Journal of Molecular Structure: THEOCHEM

Year:

1988

Language:

english

File:

PDF, 889 KB

english, 1988

7

Ultraviolet A radiation potentiates the cytotoxic and genotoxic effects of 7 H -dibenzo[ c , g ]carbazole and its methyl derivatives

Sedlačková, Eva, Bábelová, Andrea, Kozics, Katarína, Šelc, Michal, Srančíková, Annamária, Frecer, Vladimír, Gábelová, Alena

Journal:

Environmental and Molecular Mutagenesis

Year:

2015

Language:

english

File:

PDF, 939 KB

english, 2015

8

Epithelial cell adhesion on films mimicking surface of polymeric scaffolds of artificial urethra compared to molecular modeling of integrin binding

Kollar, Jakub, Morelli, Andrea, Chiellini, Federica, Miertus, Stanislav, Bakos, Dusan, Frecer, Vladimir

Journal:

Journal of Bioactive and Compatible Polymers

Year:

2019

Language:

english

File:

PDF, 1023 KB

english, 2019

9

Stereoisomers of oseltamivir – synthesis, in silico prediction and biological evaluation

Hajzer, Viktória, Fišera, Roman, Latika, Attila, Durmis, Július, Kollár, Jakub, Frecer, Vladimír, Tučeková, Zuzana, Miertuš, Stanislav, Kostolanský, František, Varečková, Eva, Šebesta, Radovan

Journal:

Organic & Biomolecular Chemistry

Year:

2017

Language:

english

File:

PDF, 1.47 MB

english, 2017

10

Increased antiprotease activity of the SERPINB3 polymorphic variant SCCA-PD

Turato, C., Biasiolo, A., Pengo, P., Frecer, V., Quarta, S., Fasolato, S., Ruvoletto, M., Beneduce, L., Zuin, J., Fassina, G., Gatta, A., Pontisso, P.

Journal:

Experimental Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 772 KB

english, 2011

11

Design of Novel Dihydroxynaphthoic Acid Inhibitors of Plasmodium Falciparum Lactate Dehydrogenase

Megnassan, Eugene, Keita, Melalie, Bieri, Cecile, Esmel, Akori, Frecer, Vladimir, Miertus, Stanislav

Journal:

Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 662 KB

english, 2012

12

Development of a novel diagnostic algorithm to predict NASH in HCV-positive patients

Gallotta, Andrea, Paneghetti, Laura, Mrázová, Viera, Bednárová, Adriana, Kružlicová, Dáša, Frecer, Vladimir, Miertus, Stanislav, Biasiolo, Alessandra, Martini, Andrea, Pontisso, Patrizia, Fassina, Gio

Journal:

The International Journal of Biological Markers

Year:

2018

Language:

english

File:

PDF, 288 KB

english, 2018

13

Diversity of sialidases found in the human body – A review

Lipničanová, Sabina, Chmelová, Daniela, Ondrejovič, Miroslav, Frecer, Vladimír, Miertuš, Stanislav

Journal:

International Journal of Biological Macromolecules

Year:

2020

File:

PDF, 1.66 MB

2020

14

Continuum models of environmental effects on molecular structure and mechanisms in chemistry and biology

Stanislav Miertus, Vladimir Frecer

Journal:

Journal of Mathematical Chemistry

Year:

1992

Language:

english

File:

PDF, 1.66 MB

english, 1992

15

Design and in silico screening of combinatorial library of antimalarial analogs of triclosan inhibiting Plasmodium falciparum enoyl-acyl carrier protein reductase

Vladimir Frecer, Eugene Megnassan, Stanislav Miertus

Journal:

European Journal of Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 1.11 MB

english, 2009

16

Valorisation of softwood bark through extraction of utilizable chemicals. A review

Jablonsky, M., Nosalova, J., Sladkova, A., Haz, A., Kreps, F., Valka, J., Miertus, S., Frecer, V., Ondrejovic, M., Sima, J., Surina, I.

Journal:

Biotechnology Advances

Year:

2017

Language:

english

File:

PDF, 1.12 MB

english, 2017

17

Synthesis and biological evaluation of new simple indolic non peptidic HIV Protease inhibitors: The effect of different substitution patterns

Bonini, C., Chiummiento, L., Di Blasio, N., Funicello, M., Lupattelli, P., Tramutola, F., Berti, F., Ostric, A., Miertus, S., Frecer, V., Kong, D.-X.

Journal:

Bioorganic & Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.53 MB

english, 2014

18

Molecular Dynamics Study on the Conformational Stability of Laminaran Oligomers in Various Solvents

Frecer, Vladimir, Rizzo, Roberto, Miertus, Stanislav

Journal:

Biomacromolecules

Year:

2000

Language:

english

File:

PDF, 170 KB

english, 2000

19

Diarylcyclopropane hydroxamic acid inhibitors of histone deacetylase 4 designed by combinatorial approach and QM/MM calculations

Kollar, Jakub, Frecer, Vladimir

Journal:

Journal of Molecular Graphics and Modelling

Year:

2018

Language:

english

File:

PDF, 1.71 MB

english, 2018

20

Conformational Analysis of Methyl Phenylcarbamate and its Methoxy Derivatives by MO Calculations

Milan Remko, Vladimír Frecer, Jozef Čižmárik

Journal:

Archiv der Pharmazie

Year:

1983

Language:

english

File:

PDF, 376 KB

english, 1983

21

QSAR study of natural estrogen-like isoflavonoids and diphenolics from Thai medicinal plants

Wanchai De-Eknamkul, Kaoru Umehara, Orawan Monthakantirat, Radovan Toth, Vladimir Frecer, Lorena Knapic, Paolo Braiuca, Hiroshi Noguchi, Stanislav Miertus

Journal:

Journal of Molecular Graphics and Modelling

Year:

2011

Language:

english

File:

PDF, 737 KB

english, 2011

22

Computer-assisted combinatorial design of bicyclic thymidine analogs as inhibitors ofMycobacterium tuberculosisthymidine monophosphate kinase

Vladimir Frecer, Pierfausto Seneci, Stanislav Miertus

Journal:

Journal of Computer-Aided Molecular Design

Year:

2011

Language:

english

File:

PDF, 958 KB

english, 2011

23

Molecular Interactions and Inclusion Phenomena in Substituted β-Cyclodextrins. Simple Inclusion Probes: H2O, C, CH4, C6H6, NH4+, HCOO−

Stanislaw Miertus, Vladimir Frecer, Emo Chiellini, Federica Chiellini, Roberto Solaro, Jacopo Tomasi

Journal:

Journal of Inclusion Phenomena and Macrocyclic Chemistry

Year:

1998

Language:

english

File:

PDF, 281 KB

english, 1998

24

Combinatorial Design of Avian Influenza Neuraminidase Inhibitors Containing Pyrrolidine Core with a Reduced Susceptibility to Viral Drug Resistance

Rungrotmongkol, Thanyada, Udommaneethanakit, Thanyarat, Frecer, Vladimir, Miertus, Stanislav

Journal:

Combinatorial Chemistry & High Throughput Screening

Year:

2010

Language:

english

File:

PDF, 580 KB

english, 2010

25

Bioresource of Antioxidant and Potential Medicinal Compounds from Waste Biomass of Spruce

Kreps, František, Burčová, Zuzana, Jablonsky, Michal, Ház, Aleš, Frecer, Vladimír, Kyselka, Jan, Schmidt, Štefan, Šurina, Igor, Filip, Vladimír

Journal:

ACS Sustainable Chemistry & Engineering

Year:

2017

Language:

english

File:

PDF, 517 KB

english, 2017

26

Computer-Aided Design of Orally Bioavailable Pyrrolidine Carboxamide Inhibitors of Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Pharmacokinetic Profiles

Kouassi, Affiba, Kone, Mawa, Keita, Melalie, Esmel, Akori, Megnassan, Eugene, N’Guessan, Yao, Frecer, Vladimir, Miertus, Stanislav

Journal:

International Journal of Molecular Sciences

Year:

2015

Language:

english

File:

PDF, 4.61 MB

english, 2015

27

Evaluation of the Analytical Specificity of SCCA-IGM Assay for Monitoring Patients with Cirrhosis

Zuin, Jessica, Veggiani, Gianluca, Pengo, Paolo, Gallotta, Andrea, Biasiolo, Alessandra, Tono, Natascia, Gatta, Angelo, Pontisso, Patrizia, Toth, Radovan, Cerin, Dean, Frecer, Vladimir, Meo, Sabrina,

Journal:

The International Journal of Biological Markers

Year:

2009

Language:

english

File:

PDF, 32 KB

english, 2009

28

ChemInform Abstract: A Complicated Path of Salicylaldehyde Through the Biginelli Reaction: A Case of Unexpected Spiroketalization.

Svetlik, Jan, Pronayova, Nad'a, Svorc, Lubomir, Frecer, Vladimir

Journal:

Year:

2015

File:

PDF, 16 KB

2015

29

Molecular dynamics study on lipid A from Escherichia coli: insights into its mechanism of biological action

Vladimir Frecer, Bow Ho, Jeak Ling Ding

Journal:

Biochimica et Biophysica Acta (BBA) - Biomembranes

Year:

2000

Language:

english

File:

PDF, 496 KB

english, 2000

30

How accurate is the description of ligand–protein interactions by a hybrid QM/MM approach?

Kollar, Jakub, Frecer, Vladimir

Journal:

Journal of Molecular Modeling

Year:

2018

Language:

english

File:

PDF, 3.40 MB

english, 2018

31

Virtual design of novel Plasmodium falciparum cysteine protease falcipain-2 hybrid lactone–chalcone and isatin–chalcone inhibitors probing the S2 active site pocket

Allangba, Koffi N’Guessan Placide Gabin, Keita, Mélalie, Kre N’Guessan, Raymond, Megnassan, Eugene, Frecer, Vladimir, Miertus, Stanislav

Journal:

Journal of Enzyme Inhibition and Medicinal Chemistry

Year:

2019

Language:

english

File:

PDF, 2.17 MB

english, 2019

32

Design, structure-based focusing and in silico screening of combinatorial library of peptidomimetic inhibitors of Dengue virus NS2B-NS3 protease

Vladimir Frecer, Stanislav Miertus

Journal:

Journal of Computer-Aided Molecular Design

Year:

2010

Language:

english

File:

PDF, 1.32 MB

english, 2010

33

Application of computer assisted combinatorial chemistry in antivirial, antimalarial and anticancer agents design

BURELLO, E., BOLOGA, C., FRECER, V., MIERTUS, S.

Journal:

Molecular Physics

Year:

2002

Language:

english

File:

PDF, 1.22 MB

english, 2002

34

Design of oseltamivir analogs inhibiting neuraminidase of avian influenza virus H5N1

Thanyada Rungrotmongkol, Vladimir Frecer, Wanchai De-Eknamkul, Supot Hannongbua, Stanislav Miertus

Journal:

Antiviral Research

Year:

2009

Language:

english

File:

PDF, 583 KB

english, 2009

35

Synthesis and evaluation of 5′-modified thymidines and 5-hydroxymethyl-2′-deoxyuridines as Mycobacterium tuberculosis thymidylate kinase inhibitors

Kiran S. Toti, Frederick Verbeke, Martijn D.P. Risseeuw, Vladimir Frecer, Hélène Munier-Lehmann, Serge Van Calenbergh

Journal:

Bioorganic & Medicinal Chemistry

Year:

2013

Language:

english

File:

PDF, 886 KB

english, 2013

36

De Novo Design of Potent Antimicrobial Peptides

Frecer, V., Ho, B., Ding, J. L.

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2004

Language:

english

File:

PDF, 352 KB

english, 2004

37

A novel algorithm based on serum SCCA-IgM determination combined with common clinical data improves prediction of histological NASH

Gallotta, A., Mrázová, V., Bednárová, A., Kružlicová, D., Frecer, V., Miertus, S., Fattovich, G., Biasiolo, A., Martini, A., Ieluzzi, D., Guido, M., Pontisso, P., Fassina, G.

Journal:

Digestive and Liver Disease

Year:

2015

Language:

english

File:

PDF, 98 KB

english, 2015

38

Interpretation of biological activity data of bacterial endotoxins by simple molecular models of mechanism of action

Vladimir Frecer, Bow Ho, Jeak L. Ding

Journal:

Year:

2000

Language:

english

File:

PDF, 1.01 MB

english, 2000

39

Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Predicted Pharmacokinetic Profiles

Kouman, Koffi Charles, Keita, Melalie, Kre N’Guessan, Raymond, Owono Owono, Luc Calvin, Megnassan, Eugene, Frecer, Vladimir, Miertus, Stanislav

Journal:

International Journal of Molecular Sciences

Year:

2019

Language:

english

File:

PDF, 13.23 MB

english, 2019

40

Pathogenicity of new BEST1 variants identified in Italian patients with best vitelliform macular dystrophy assessed by computational structural biology

Frecer, Vladimir, Iarossi, Giancarlo, Salvetti, Anna Paola, Maltese, Paolo Enrico, Delledonne, Giulia, Oldani, Marta, Staurenghi, Giovanni, Falsini, Benedetto, Minnella, Angelo Maria, Ziccardi, Lucia,

Journal:

Journal of Translational Medicine

Year:

2019

File:

PDF, 1.90 MB

2019

41

Antiviral agents against COVID-19: structure-based design of specific peptidomimetic inhibitors of SARS-CoV-2 main protease

Frecer, Vladimir, Miertus, Stanislav

Journal:

Year:

2020

File:

PDF, 2.58 MB

2020

42

Synthesis and in vitro study of novel neuraminidase inhibitors against avian influenza virus

Jarinrat Kongkamnerd, Luca Cappelletti, Adolfo Prandi, Pierfausto Seneci, Thanyada Rungrotmongkol, Nutthapon Jongaroonngamsang, Pornchai Rojsitthisak, Vladimir Frecer, Adelaide Milani, Giovanni Cattol

Journal:

Bioorganic & Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 461 KB

english, 2012

43

Design of peptidomimetic inhibitors of aspartic protease of HIV-1 containing –PheΨPro– core and displaying favourable ADME-related properties

Vladimir Frecer, Federico Berti, Fabio Benedetti, Stanislav Miertus

Journal:

Journal of Molecular Graphics and Modelling

Year:

2008

Language:

english

File:

PDF, 1.16 MB

english, 2008

44

Quantitative structure–activity relationships and design of thymine-like inhibitors of thymidine monophosphate kinase of Mycobacterium tuberculosis with favourable pharmacokinetic profiles

Keita, M., Kumar, A., Dali, B., Megnassan, E., Siddiqi, M. I., Frecer, V., Miertus, S.

Journal:

Year:

2014

Language:

english

File:

PDF, 1.70 MB

english, 2014

45

Prediction of Protein Adsorption on Self-Assembled Monolayers of Functionalized Alkanethiols on Gold Electrode from Molecular Dynamics Simulations

Cerin, Dean, Toth, Radovan, Frecer, Vladimir

Journal:

The International Journal of Biological Markers

Year:

2009

Language:

english

File:

PDF, 30 KB

english, 2009

46

Pathogenicity of new BEST1 variants identified in Italian patients with best vitelliform macular dystrophy assessed by computational structural biology

Frecer, Vladimir, Iarossi, Giancarlo, Salvetti, Anna Paola, Maltese, Paolo Enrico, Delledonne, Giulia, Oldani, Marta, Staurenghi, Giovanni, Falsini, Benedetto, Minnella, Angelo Maria, Ziccardi, Lucia,

Journal:

Journal of Translational Medicine

Year:

2019

Language:

english

File:

PDF, 1.90 MB

english, 2019

47

Molecular aspects of a novel HLA-A02 allele (A0297): the first HLA class I allele mutated at codon 232

E. Garino, J. Miertus, M. Berrino, F. Bertinetto, P. Caropreso, V. Gay, G. Mazzola, F. Tondat, V. Frecer, S. Miertus, A. Amoroso

Journal:

Tissue Antigens

Year:

2007

Language:

english

File:

PDF, 533 KB

english, 2007

48

Structure-Based Design and in Silico Screening of Virtual Combinatorial Library of Benzamides Inhibiting 2-trans Enoyl-Acyl Carrier Protein Reductase of Mycobacterium tuberculosis with Favorable Predicted Pharmacokinetic Profiles

Kouman, Koffi Charles, Keita, Melalie, Kre N’Guessan, Raymond, Owono Owono, Luc Calvin, Megnassan, Eugene, Frecer, Vladimir, Miertus, Stanislav

Journal:

International Journal of Molecular Sciences

Year:

2019

File:

PDF, 13.23 MB

2019

49

ASALL4zinc finger missense mutation predicted to result in increased DNA binding affinity is associated with cranial midline defects and mild features of Okihiro syndrome

Jan Miertus, Wiktor Borozdin, Vladimir Frecer, Giorgio Tonini, Sara Bertok, Antonio Amoroso, Stanislav Miertus, Jürgen Kohlhase

Journal:

Year:

2006

Language:

english

File:

PDF, 487 KB

english, 2006

50

A complicated path of salicylaldehyde through the Biginelli reaction: a case of unexpected spiroketalization

Svĕtlík, Jan, Prónayová, Nad'a, Švorc, Lubomír, Frecer, Vladimír

Journal:

Year:

2014

Language:

english

File:

PDF, 559 KB

english, 2014

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