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1

Advances in the Prediction of Gastrointestinal Absorption: Quantitative Structure-Activity Relationship (QSAR) modelling of PAMPA Permeability

Diukendjieva, Antonia, Tsakovska, Ivanka, Alov, Petko, Pencheva, Tania, Pajeva, Ilza, Worth, Andrew P., Madden, Judith C., Cronin, Mark T.D.

Journal:

Computational Toxicology

Year:

2018

Language:

english

File:

PDF, 680 KB

english, 2018

2

New functional assay of P-glycoprotein activity using Hoechst 33342

Henrik Müller, Werner Klinkhammer, Christoph Globisch, Matthias U. Kassack, Ilza K. Pajeva, Michael Wiese

Journal:

Bioorganic & Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 491 KB

english, 2007

3

In vitro and in silico studies of the membrane permeability of natural flavonoids from Silybum marianum (L.) Gaertn. and their derivatives

Diukendjieva, Antonia, Alov, Petko, Tsakovska, Ivanka, Pencheva, Tania, Richarz, Andrea, Kren, Vladimir, Cronin, Mark T.D., Pajeva, Ilza

Journal:

Year:

2018

Language:

english

File:

PDF, 1010 KB

english, 2018

4

A Comparative Molecular Field Analysis of Propafenone-type Modulators of Cancer Multidrug Resistance

Ilza K. Pajeva, Michael Wiese

Journal:

Molecular Informatics

Year:

1998

Language:

english

File:

PDF, 939 KB

english, 1998

5

Interpretation of CoMFA Results – A Probe Set Study Using Hydrophobic Fields

Ilza K. Pajeva, Michael Wiese

Journal:

Molecular Informatics

Year:

1999

Language:

english

File:

PDF, 584 KB

english, 1999

6

Human P-Glycoprotein Pseudoreceptor Modeling: 3D-QSAR Study on Thioxanthene Type Multidrug Resistance Modulators

Ilza K. Pajeva, Michael Wiese

Journal:

Molecular Informatics

Year:

2001

Language:

english

File:

PDF, 249 KB

english, 2001

7

Identification of Putative Binding Sites of P-glycoprotein Based on its Homology Model

Christoph Globisch, Ilza K. Pajeva, Michael Wiese

Journal:

Year:

2008

Language:

english

File:

PDF, 2.59 MB

english, 2008

8

Combined Pharmacophore Modeling, Docking, and 3D QSAR Studies of ABCB1 and ABCC1 Transporter Inhibitors

Ilza K. Pajeva, Christoph Globisch, Michael Wiese

Journal:

Year:

2009

Language:

english

File:

PDF, 770 KB

english, 2009

9

Structure–activity relationships of a series of tariquidar analogs as multidrug resistance modulators

Christoph Globisch, Ilza K. Pajeva, Michael Wiese

Journal:

Bioorganic & Medicinal Chemistry

Year:

2006

Language:

english

File:

PDF, 581 KB

english, 2006

10

Functional assay and structure–activity relationships of new third-generation P-glycoprotein inhibitors

Henrik Müller, Ilza K. Pajeva, Christoph Globisch, Michael Wiese

Journal:

Bioorganic & Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.18 MB

english, 2008

11

Synthesis and biological evaluation of a small molecule library of 3rd generation multidrug resistance modulators

Werner Klinkhammer, Henrik Müller, Christoph Globisch, Ilza K. Pajeva, Michael Wiese

Journal:

Bioorganic & Medicinal Chemistry

Year:

2009

Language:

english

File:

PDF, 419 KB

english, 2009

12

Structure–activity relationships of flavonoids as inhibitors of breast cancer resistance protein (BCRP)

Anne Pick, Henrik Müller, Ralf Mayer, Britta Haenisch, Ilza K. Pajeva, Mathias Weigt, Heinz Bönisch, Christa E. Müller, Michael Wiese

Journal:

Bioorganic & Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 643 KB

english, 2011

13

Post-docking virtual screening of diverse binding pockets: Comparative study using DOCK, AMMOS, X-Score and FRED scoring functions

Tania Pencheva, Oumarou Samna Soumana, Ilza Pajeva, Maria A. Miteva

Journal:

European Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 1.49 MB

english, 2010

14

QSAR and Molecular Modelling of Catamphiphilic Drugs Able to Modulate Multidrug Resistance in Tumors

Ilza K. Pajeva, Michael Wiese

Journal:

Molecular Informatics

Year:

1997

Language:

english

File:

PDF, 834 KB

english, 1997

15

QSAR and 3D QSAR of inhibitors of the epidermal growth factor receptor

Mariano Pinto-Bazurco, Ivanka Tsakovska, Ilza Pajeva

Journal:

International Journal of Quantum Chemistry

Year:

2006

Language:

english

File:

PDF, 328 KB

english, 2006

16

Molecular Modeling of P-Glycoprotein and Related Drugs

Ilza Pajeva, Christoph Globisch, Romy Fleischer, Ivanka Tsakovska, Michael Wiese

Journal:

Medicinal Chemistry Research

Year:

2005

File:

PDF, 585 KB

2005

17

Interactions of Poly(vinylpyrrolidone) with Ibuprofen and Naproxen: Experimental and Modeling Studies

Svetla Bogdanova, Ilza Pajeva, Petya Nikolova, Ivanka Tsakovska, Bernd Müller

Journal:

Pharmaceutical Research

Year:

2005

Language:

english

File:

PDF, 343 KB

english, 2005

18

Comparison of the inward- and outward-open homology models and ligand binding of human P-glycoprotein

Ilza K. Pajeva, Christoph Globisch, Michael Wiese

Journal:

Year:

2009

Language:

english

File:

PDF, 812 KB

english, 2009

19

Structure–Activity Relationships of Tariquidar Analogs as Multidrug Resistance Modulators

Ilza K. Pajeva, Michael Wiese

Journal:

The AAPS Journal

Year:

2009

Language:

english

File:

PDF, 275 KB

english, 2009

20

Substructural Analysis of Antineoplastic Compounds in Respect of in Vivo Tumor Models

Dr. Ilza Pajeva, Evgeny Golovinsky

Journal:

Molecular Informatics

Year:

1990

Language:

english

File:

PDF, 611 KB

english, 1990

21

Membrane effects of the antitumor drugs doxorubicin and thaliblastine: comparison to multidrug resistance modulators verapamil and trans-flupentixol

Ilza Pajeva, Dimiter K. Todorov, Joachim Seydel

Journal:

European Journal of Pharmaceutical Sciences

Year:

2004

Language:

english

File:

PDF, 209 KB

english, 2004

22

3D-QSAR and preliminary evaluation of anti-inflammatory activity of series of N-pyrrolylcarboxylic acids

Iglika Lessigiarska, Atanas Nankov, Adriana Bocheva, Ilza Pajeva, Atanas Bijev

Journal:

Year:

2005

Language:

english

File:

PDF, 282 KB

english, 2005

23

AMMOS: Automated Molecular Mechanics Optimization tool forin silicoScreening

Tania Pencheva, David Lagorce, Ilza Pajeva, Bruno O Villoutreix, Maria A Miteva

Journal:

BMC Bioinformatics

Year:

2008

Language:

english

File:

PDF, 970 KB

english, 2008

24

Data extraction module—A supplementary tool for the AMMOS_ProtLig software package

Dessislava Jereva, Ilza Pajeva, Tania Pencheva

Journal:

Computers & Mathematics with Applications

Year:

2012

Language:

english

File:

PDF, 976 KB

english, 2012

25

Structural insight into the UNC-45-myosin complex

Fratev, Filip, Ósk Jónsdóttir, Svava, Pajeva, Ilza

Journal:

Proteins: Structure, Function, and Bioinformatics

Year:

2013

Language:

english

File:

PDF, 2.96 MB

english, 2013

26

Analysis of results from antineoplastic activity prediction by formal statistical methods

Journal:

European Journal of Cancer and Clinical Oncology

Year:

1991

Language:

english

File:

PDF, 177 KB

english, 1991

27

Burkowski Forbes J: Structural Bioinformatics: An Algorithmic Approach

Journal:

BioMedical Engineering OnLine

Year:

2009

Language:

english

File:

PDF, 109 KB

english, 2009

28

Pharmacophore Model of Drugs Involved in P-Glycoprotein Multidrug Resistance: Explanation of Structural Variety (Hypothesis)

Pajeva, Ilza K., Wiese, Michael

Journal:

Journal of Medicinal Chemistry

Year:

2002

Language:

english

File:

PDF, 202 KB

english, 2002

29

Molecular Modeling of Phenothiazines and Related Drugs As Multidrug Resistance Modifiers: A Comparative Molecular Field Analysis Study

Pajeva, Ilza, Wiese, Michael

Journal:

Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 325 KB

english, 1998

30

Interactions of the Multidrug Resistance Modulators Tariquidar and Elacridar and their Analogues with P-glycoprotein

Pajeva, Ilza K., Sterz, Katja, Christlieb, Matthias, Steggemann, Kerstin, Marighetti, Federico, Wiese, Michael

Journal:

Year:

2013

Language:

english

File:

PDF, 2.60 MB

english, 2013

31

Protein Contacts and Ligand Binding in the Inward-Facing Model of Human P-Glycoprotein

Pajeva, Ilza K., Hanl, Markus, Wiese, Michael

Journal:

Year:

2013

Language:

english

File:

PDF, 3.21 MB

english, 2013

32

Molecular Basis of Inactive B-RAF WT and B-RAF V600E Ligand Inhibition, Selectivity and Conformational Stability: An in Silico Study

Fratev, Filip, Jónsdóttir, Svava Ósk, Mihaylova, Elina, Pajeva, Ilza

Journal:

Molecular Pharmaceutics

Year:

2009

Language:

english

File:

PDF, 2.38 MB

english, 2009

33

Combination of Genetic Screening and Molecular Dynamics as a Useful Tool for Identification of Disease-Related Mutations: ZASP PDZ Domain G54S Mutation Case

Fratev, Filip, Mihaylova, Elina, Pajeva, Ilza

Journal:

Journal of Chemical Information and Modeling

Year:

2014

Language:

english

File:

PDF, 4.86 MB

english, 2014

34

Toward better understanding of liver steatosis MoA: Molecular modelling study of PPAR gamma receptor

Al Sharif, Merilin, Alov, Petko, Cronin, Mark, Fioravanzo, Elena, Tsakovska, Ivanka, Vitcheva, Vessela, Worth, Andrew, Yang, Chihae, Pajeva, Ilza

Journal:

Toxicology Letters

Year:

2013

Language:

english

File:

PDF, 72 KB

english, 2013

35

Description of the MoA/AOP linked with PPARgamma receptor dysregulation leading to liver fibrosis

Vitcheva, Vessela, Sharif, Merilin Al, Tsakovska, Ivanka, Alov, Petko, Mostrag-Szlichtyng, Aleksandra, Cronin, Mark T.D., Yang, Chihae, Pajeva, Ilza

Journal:

Toxicology Letters

Year:

2014

Language:

english

File:

PDF, 70 KB

english, 2014

36

Structure−Function Relationships of Multidrug Resistance P-Glycoprotein

Pajeva, Ilza K., Globisch, Christoph, Wiese, Michael

Journal:

Journal of Medicinal Chemistry

Year:

2004

Language:

english

File:

PDF, 487 KB

english, 2004

37

In Memoriam: Prof. Dr. Joachim K. Seydel

Pajeva, Ilza, Wiese, Michael

Journal:

Molecular Informatics

Year:

2014

Language:

english

File:

PDF, 87 KB

english, 2014

38

Modes-of-Action Related to Repeated Dose Toxicity: Tissue-Specific Biological Roles of PPARγ Ligand-Dependent Dysregulation in Nonalcoholic Fatty Liver Disease

Al Sharif, Merilin, Alov, Petko, Vitcheva, Vessela, Pajeva, Ilza, Tsakovska, Ivanka

Journal:

Year:

2014

Language:

english

File:

PDF, 852 KB

english, 2014

39

Molecular Modelling Study of the PPARγ Receptor in Relation to the Mode of Action/Adverse Outcome Pathway Framework for Liver Steatosis

Tsakovska, Ivanka, Al Sharif, Merilin, Alov, Petko, Diukendjieva, Antonia, Fioravanzo, Elena, Cronin, Mark, Pajeva, Ilza

Journal:

International Journal of Molecular Sciences

Year:

2014

Language:

english

File:

PDF, 1.49 MB

english, 2014

40

Molecular dynamics simulation of the human estrogen receptor alpha: contribution to the pharmacophore of the agonists

Jereva, Dessislava, Fratev, Filip, Tsakovska, Ivanka, Alov, Petko, Pencheva, Tania, Pajeva, Ilza

Journal:

Mathematics and Computers in Simulation

Year:

2015

Language:

english

File:

PDF, 1.45 MB

english, 2015

41

Post-Docking Optimization and Analysis of Protein-Ligand Interactions of Estrogen Receptor Alpha using AMMOS Software

Pencheva, Tania, Jereva, Dessislava, A. Miteva, Maria, Pajeva, Ilza

Journal:

Current Computer - Aided Drug Design

Year:

2013

Language:

english

File:

PDF, 1.73 MB

english, 2013

42

Structure-Activity Relationships of Multidrug Resistance Reversers

Wiese, Michael, Pajeva, Ilza

Journal:

Current Medicinal Chemistry

Year:

2001

Language:

english

File:

PDF, 248 KB

english, 2001

43

HAGE, the helicase antigen as a biomarker for breast cancer prognosis (WO2013144616)

Wiese, Michael, Pajeva, Ilza K

Journal:

Expert Opinion on Therapeutic Patents

Year:

2014

Language:

english

File:

PDF, 410 KB

english, 2014

44

The application of molecular modelling in the safety assessment of chemicals: A case study on ligand-dependent PPARγ dysregulation

Al Sharif, Merilin, Tsakovska, Ivanka, Pajeva, Ilza, Alov, Petko, Fioravanzo, Elena, Bassan, Arianna, Kovarich, Simona, Yang, Chihae, Mostrag-Szlichtyng, Aleksandra, Vitcheva, Vessela, Worth, Andrew P

Journal:

Year:

2016

Language:

english

File:

PDF, 3.07 MB

english, 2016

45

AMMOS2: a web server for protein–ligand–water complexes refinement via molecular mechanics

Labbé, Céline M., Pencheva, Tania, Jereva, Dessislava, Desvillechabrol, Dimitri, Becot, Jérôme, Villoutreix, Bruno O., Pajeva, Ilza, Miteva, Maria A.

Journal:

Nucleic Acids Research

Year:

2017

Language:

english

File:

PDF, 1.32 MB

english, 2017

46

Natural modulators of nonalcoholic fatty liver disease: Mode of action analysis and in silico ADME-Tox prediction

Al Sharif, Merilin, Alov, Petko, Vitcheva, Vessela, Diukendjieva, Antonia, Mori, Mattia, Botta, Bruno, Tsakovska, Ivanka, Pajeva, Ilza

Journal:

Toxicology and Applied Pharmacology

Year:

2017

Language:

english

File:

PDF, 2.60 MB

english, 2017

47

Molecular determinants of PPARγ partial agonism and related in silico / in vivo studies of natural saponins as potential type 2 diabetes modulators

Al Sharif, Merilin, Alov, Petko, Diukendjieva, Antonia, Vitcheva, Vessela, Simeonova, Rumyana, Krasteva, Ilina, Shkondrov, Aleksandar, Tsakovska, Ivanka, Pajeva, Ilza

Journal:

Food and Chemical Toxicology

Year:

2017

Language:

english

File:

PDF, 2.13 MB

english, 2017

48

Structural and Dynamical Insight into PPARγ Antagonism: In Silico Study of the Ligand-Receptor Interactions of Non-Covalent Antagonists

Fratev, Filip, Tsakovska, Ivanka, Al Sharif, Merilin, Mihaylova, Elina, Pajeva, Ilza

Journal:

International Journal of Molecular Sciences

Year:

2015

Language:

english

File:

PDF, 3.07 MB

english, 2015

49

Xanthates As Useful Probes for Testing the Active Sites of Cytochromes P450 4A11 and 2E1

Stoyanova, Tsveta, Lessigiarska, Iglika, Mikov, Momir, Pajeva, Ilza, Yanev, Stanislav

Journal:

Frontiers in Pharmacology

Year:

2017

Language:

english

File:

PDF, 1.51 MB

english, 2017

50

Computational Studies of Free Radical-Scavenging Properties of Phenolic Compounds

Alov, Petko, Tsakovska, Ivanka, Pajeva, Ilza

Journal:

Current Topics in Medicinal Chemistry

Year:

2015

Language:

english

File:

PDF, 309 KB

english, 2015

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