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1

Lead optimization of purine based orally bioavailable Mps1 (TTK) inhibitors

D. Vijay Kumar, Christophe Hoarau, Matthew Bursavich, Paul Slattum, David Gerrish, Kraig Yager, Michael Saunders, Mark Shenderovich, Bruce L. Roth, Rena McKinnon, Ashley Chan, Daniel M. Cimbora, Chad

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2012

Language:

english

File:

PDF, 3.16 MB

english, 2012

2

Topographical Amino Acid Substitution in Position 10 of Glucagon Leads to Antagonists/Partial Agonists with Greater Binding Differences

Azizeh, Bassem Y., Shenderovich, Mark D., Trivedi, Dev, Li, Guigen, Sturm, Noel S., Hruby, Victor J.

Journal:

Journal of Medicinal Chemistry

Year:

1996

Language:

english

File:

PDF, 225 KB

english, 1996

3

Structure-based design and screening of inhibitors for an essential bacterial GTPase, Der

Hwang, Jihwan, Tseitin, Vladimir, Ramnarayan, Kal, Shenderovich, Mark D, Inouye, Masayori

Journal:

The Journal of Antibiotics

Year:

2012

Language:

english

File:

PDF, 540 KB

english, 2012

4

A Sustained-Release Membrane of Thiazolidinedione-8: Effect on Formation of a Candida/Bacteria Mixed Biofilm on Hydroxyapatite in a Continuous Flow Model

Feldman, Mark, Shenderovich, Julia, Lavy, Eran, Friedman, Michael, Steinberg, Doron

Journal:

BioMed Research International

Year:

2017

Language:

english

File:

PDF, 5.17 MB

english, 2017

5

3D modeling for TM receptors: Algorithms and validations

Gregory V. Nikiforovich, Stan Galaktionov, Vladimir M. Tseitin, David R. Lowis, Mark D. Shenderovich, Garland R. Marshall

Journal:

International Journal of Peptide Research and Therapeutics

Year:

1998

Language:

english

File:

PDF, 261 KB

english, 1998

6

Conformational analysis of [Cpp1, Sar7, Arg8] vasopressin by 1H-NMR spectroscopy and molecular mechanics calculations

MARK D. SHENDEROVICH, FRANCISZEK KASPRZYKOWSKI, ADAM LIWO, ILMARS SEKACIS, JURIS SAULITIS, GREGORY V. NIKIFOROVICH

Journal:

Chemical Biology & Drug Design

Year:

1991

Language:

english

File:

PDF, 936 KB

english, 1991

7

A three-dimensional model of the δ-opioid pharmacophore: Comparative molecular modeling of peptide and nonpeptide ligands

Mark D. Shenderovich, Subo Liao, Xinhua Qian, Victor J. Hruby

Journal:

Year:

2000

Language:

english

File:

PDF, 359 KB

english, 2000

8

Discovery of (2 S )-1-[4-(2-{6-Amino-8-[(6-bromo-1,3-benzodioxol-5-yl)sulfanyl]-9 H -purin-9-yl}ethyl)piperidin-1-yl]-2-hydroxypropan-1-one (MPC-3100), a Purine-Based Hsp90 Inhibitor

Kim, Se-Ho, Bajji, Ashok, Tangallapally, Rajendra, Markovitz, Benjamin, Trovato, Richard, Shenderovich, Mark, Baichwal, Vijay, Bartel, Paul, Cimbora, Daniel, McKinnon, Rena, Robinson, Rosann, Papac, D

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.96 MB

english, 2012

9

Conformational features responsible for the binding of cyclic analogues of enkephalin to opioid receptors : II. Models of μ- and δ-receptor-bound structures for analogues containing Phe4

GREGORY V. NIKIFOROVICH, ALEXANDER A. GOLBRAIKH, MARK D. SHENDEROVICH, JURIS BALODIS

Journal:

Chemical Biology & Drug Design

Year:

1990

Language:

english

File:

PDF, 720 KB

english, 1990

10

De Novo Design, Synthesis, and Biological Activities of High-Affinity and Selective Non-Peptide Agonists of the δ-Opioid Receptor ‖

Liao, Subo, Alfaro-Lopez, Josue, Shenderovich, Mark D., Hosohata, Keiko, Lin, Jun, Li, Xiaoping, Stropova, Dagmar, Davis, Peg, Jernigan, Kevin A., Porreca, Frank, Yamamura, Henry I., Hruby, Victor J.

Journal:

Journal of Medicinal Chemistry

Year:

1998

Language:

english

File:

PDF, 198 KB

english, 1998

11

Local sustained-release delivery systems of the antibiofilm agent thiazolidinedione-8 for prevention of catheter-associated urinary tract infections

Shenderovich, Julia, Feldman, Mark, Kirmayer, David, Al-Quntar, Abed, Steinberg, Doron, Lavy, Eran, Friedman, Michael

Journal:

International Journal of Pharmaceutics

Year:

2015

Language:

english

File:

PDF, 1.16 MB

english, 2015

12

Synthesis and conformational features of topographically constrained designer chimeric amino acids: The β-isopropyl phenylalanines

Subo Liao, Mark D. Shenderovich, Jun Lin, Victor J. Hruby

Journal:

Year:

1997

Language:

english

File:

PDF, 954 KB

english, 1997

13

Novel Mps1 kinase inhibitors: From purine to pyrrolopyrimidine and quinazoline leads

Bursavich, Matthew G., Dastrup, David, Shenderovich, Mark, Yager, Kraig M., Cimbora, Daniel M., Williams, Brandi, Kumar, D. Vijay

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.10 MB

english, 2013

14

Sustained Release of a Novel Anti-Quorum-Sensing Agent against Oral Fungal Biofilms

Feldman, Mark, Shenderovich, Julia, Al-Quntar, Abed Al Aziz, Friedman, Michael, Steinberg, Doron

Journal:

Antimicrobial Agents and Chemotherapy

Year:

2015

Language:

english

File:

PDF, 935 KB

english, 2015

15

Evaluating the dissemination and scale-up of two evidence-based parenting interventions to reduce violence against children: study protocol

Shenderovich, Yulia, Ward, Catherine L., Lachman, Jamie M., Wessels, Inge, Sacolo-Gwebu, Hlengiwe, Okop, Kufre, Oliver, Daniel, Ngcobo, Lindokuhle L., Tomlinson, Mark, Fang, Zuyi, Janowski, Roselinde,

Journal:

Implementation Science Communications

Year:

2020

File:

PDF, 676 KB

2020

16

3D Modeling for TM Receptors: Algorithms and Validations

Gregory V. Nikiforovich, Stan Galaktionov, Vladimir M. Tseitin, David R. Lowis, Mark D. Shenderovich, Garland R. Marshall

Journal:

International Journal of Peptide Research and Therapeutics

Year:

1998

Language:

english

File:

PDF, 27 KB

english, 1998

17

Conformational features responsible for binding of cyclic analogues of enkephalin to opioid receptors : I. Low-energy peptide backbone conformers of analogues containing Phe4

GREGORY V. NJKIFOROVICH, JURIS BALODIS, MARK D. SHENDEROVICH, ALEXANDER A. GOLBRAIKH

Journal:

Chemical Biology & Drug Design

Year:

1990

Language:

english

File:

PDF, 776 KB

english, 1990

18

Design considerations and computer modeling related to the development of molecular scaffolds and peptide mimetics for combinatorial chemistry

Victor J. Hruby, Mark Shenderovich, Kit S. Lam, Michal Lebl

Journal:

Molecular Diversity

Year:

1996

Language:

english

File:

PDF, 947 KB

english, 1996

19

Newly discovered stereochemical requirements in the side-chain conformation of .delta. opioid agonists for recognizing opioid .delta. receptors

Qian, Xinhua, Koever, Katalin E., Shenderovich, Mark D., Lou, Bih-Show, Misicka, Aleksandra, Zalewska, Teresa, Horvath, Robert, Davis, Peg, Bilsky, E. J.

Journal:

Journal of Medicinal Chemistry

Year:

1994

Language:

english

File:

PDF, 2.03 MB

english, 1994

20

Conformational features responsible for the binding of cyclic analogues of enkephalin to opioid receptors III. Probable binding conformations of μ-agonists with phenylalanine in position 3

MARK D. SHENDEROVICH, GREGORY V. NIKIFOROVICH, ALEXANDER A. GOLBRAIKH

Journal:

Chemical Biology & Drug Design

Year:

1991

Language:

english

File:

PDF, 911 KB

english, 1991

21

Salt bridges in model peptides

Sekacis, Ilmars, Shenderovich, Mark, Nikiforovich, Gregory, Liepinš, Edvards, Polevaya, Ludmila, Chipens, Gunars

Journal:

Collection of Czechoslovak Chemical Communications

Year:

1988

Language:

english

File:

PDF, 960 KB

english, 1988

22

A molecular mechanics study of the effect of substitution in position 1 on the conformational space of the oxytocin/vasopressin ring

Monika Tarnowska, Adam Liwo, Mark D. Shenderovich, Inta Liepiņa, Alexander A. Golbraikh, Zbigniew Grzonka, Anna Tempczyk

Journal:

Journal of Computer-Aided Molecular Design

Year:

1993

Language:

english

File:

PDF, 1.21 MB

english, 1993

23

The Role of Phenylalanine at Position 6 in Glucagon's Mechanism of Biological Action: Multiple Replacement Analogues of Glucagon

Azizeh, Bassem Y., Ahn, Jung-Mo, Caspari, Rael, Shenderovich, Mark D., Trivedi, Dev, Hruby, Victor J.

Journal:

Journal of Medicinal Chemistry

Year:

1997

Language:

english

File:

PDF, 224 KB

english, 1997

24

Structural pharmacogenomics, drug resistance and the design of anti-infective super-drugs

Edward T. Maggio, Mark Shenderovich, Ron Kagan, Dean Goddette, Kal Ramnarayan

Journal:

Drug Discovery Today

Year:

2002

Language:

english

File:

PDF, 315 KB

english, 2002

25

Probing the Stereochemical Requirements for Receptor Recognition of δ Opioid Agonists through Topographic Modifications in Position 1

Qian, Xinhua, Shenderovich, Mark D., Kövér, Katalin E., Davis, Peg, Horváth, Robert, Zalewska, Teresa, Yamamura, Henry I., Porreca, Frank, Hruby, Victor J.

Journal:

Journal of the American Chemical Society

Year:

1996

Language:

english

File:

PDF, 224 KB

english, 1996

26

Conformational Aspects of Differences in Requirements for Oxytocin and Vasopressin Receptors

Oldziej, Stanislaw, Ciarkowski, Jerzy, Liwo, Adam, Shenderovich, Mark D., Grzonka, Zbigniew

Journal:

Journal of Receptor and Signal Transduction Research

Year:

1995

Language:

english

File:

PDF, 531 KB

english, 1995

27

Design, Synthesis, Biology, and Conformations of Bicyclic .alpha.-Melanotropin Analogs

Haskell-Luevano, Carrie, Shenderovich, Mark D., Sharma, Shubh D., Nikiforovich, Gregory V., Hadley, Mac E., Hruby, Victor J.

Journal:

Journal of Medicinal Chemistry

Year:

1995

Language:

english

File:

PDF, 1.92 MB

english, 1995

28

Substitution of the Side-Chain-Constrained Amino Acids β-Methyl-2‘,6‘-Dimethyl-4‘-Methoxytyrosine in Position 2 of a Bicyclic Oxytocin Analogue Provides Unique Insights into the Bioactive Topography of Oxytocin Antagonists

Liao, Subo, Shenderovich, Mark D., Zhang, Zhigang, Maletinska, Lenka, Slaninova, Jirina, Hruby, Victor J.

Journal:

Journal of the American Chemical Society

Year:

1998

Language:

english

File:

PDF, 59 KB

english, 1998

29

The stereochemical requirements of the novel δ-opioid selective dipeptide antagonist TMT-Tic

Subo Liao, Jun Lin, Mark D. Shenderovich, Yinglin Han, Keiko Hasohata, Peg Davis, Wei Qiu, Frank Porreca, Henry I. Yamamura, Victor J. Hruby

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

1997

Language:

english

File:

PDF, 243 KB

english, 1997

30

Predictors of internalised HIV-related stigma: a systematic review of studies in sub-Saharan Africa

Pantelic, Marija, Shenderovich, Yulia, Cluver, Lucie, Boyes, Mark

Journal:

Health Psychology Review

Year:

2015

Language:

english

File:

PDF, 510 KB

english, 2015

31

Design of peptides, proteins, and peptidomimetics in chi space

Victor J. Hruby, Guigen Li, Carrie Haskell-Luevano, Mark Shenderovich

Journal:

Year:

1997

Language:

english

File:

PDF, 1.29 MB

english, 1997

32

Conformational analysis of β-methyl-para-nitrophenylalanine stereoisomers of cyclo[D-Pen2, D-Pen5]enkephalin by NMR spectroscopy and conformational energy calculations

Mark D. Shenderovich, Katalin E. Kövér, Gregory V. Nikiforovich, Ding Jiao, Victor J. Hruby

Journal:

Year:

1996

Language:

english

File:

PDF, 1.18 MB

english, 1996

33

Structure-based phenotyping predicts HIV-1 protease inhibitor resistance

Mark D. Shenderovich, Ron M. Kagan, Peter N.R. Heseltine, Kal Ramnarayan

Journal:

Protein Science

Year:

2003

Language:

english

File:

PDF, 333 KB

english, 2003

34

Structural analysis of an HIV-1 protease I47A mutant resistant to the protease inhibitor lopinavir

Ron M. Kagan, Mark D. Shenderovich, Peter N.R. Heseltine, Kal Ramnarayan

Journal:

Protein Science

Year:

2005

Language:

english

File:

PDF, 296 KB

english, 2005

35

Exploration of the conformational space of oxytocin and arginine-vasopressin using the electrostatically driven Monte Carlo and molecular dynamics methods

Adam Liwo, Anna Tempczyk, Stanislaw Oldziej, Mark D. Shenderovich, Victor J. Hruby, Sekhar Talluri, Jerzy Ciarkowski, Franciszek Kasprzykowski, Leszek Lankiewicz, Zbigniew Grzonka

Journal:

Year:

1996

Language:

english

File:

PDF, 1.42 MB

english, 1996

36

Solution Conformations of Potent Bicyclic Antagonists of Oxytocin by Nuclear Magnetic Resonance Spectroscopy and Molecular Dynamics Simulations

Shenderovich, Mark D., Kövér, Katalin E., Wilke, Susanne, Collins, Nathan, Hruby, Victor J.

Journal:

Journal of the American Chemical Society

Year:

1997

Language:

english

File:

PDF, 506 KB

english, 1997

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