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1

Literature Search and Review

Davis, Mindy I., Simeonov, Anton, Lea, Wendy, Auld, Doug

Journal:

Assay and Drug Development Technologies

Year:

2014

Language:

english

File:

PDF, 1.27 MB

english, 2014

2

Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the âBig Dataâ Era

Siramshetty, Vishal B., Nguyen, Dac-Trung, Martinez, Natalia J., Southall, Noel T., Simeonov, Anton, Zakharov, Alexey V.

Journal:

Journal of Chemical Information and Modeling

Year:

2020

File:

PDF, 3.97 MB

2020

3

Enzyme Assays by Fluorescence Polarization in the Presence of Polyarginine: Study of Kinase, Phosphatase, and Protease Reactions

Anton Simeonov, Xiahui Bi, Theo T. Nikiforov

Journal:

Analytical Biochemistry

Year:

2002

Language:

english

File:

PDF, 94 KB

english, 2002

4

Selective and Cell-Active Inhibitors of the USP1/ UAF1 Deubiquitinase Complex Reverse Cisplatin Resistance in Non-small Cell Lung Cancer Cells

Junjun Chen, Thomas S. Dexheimer, Yongxing Ai, Qin Liang, Mark A. Villamil, James Inglese, David J. Maloney, Ajit Jadhav, Anton Simeonov, Zhihao Zhuang

Journal:

Chemistry & Biology

Year:

2011

Language:

english

File:

PDF, 889 KB

english, 2011

5

Fluorescence Spectroscopic Profiling of Compound Libraries

Simeonov, Anton, Jadhav, Ajit, Thomas, Craig J., Wang, Yuhong, Huang, Ruili, Southall, Noel T., Shinn, Paul, Smith, Jeremy, Austin, Christopher P., Auld, Douglas S.

Journal:

Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 1.55 MB

english, 2008

6

Synthesis and Structure–Activity Relationship Studies of N -Benzyl-2-phenylpyrimidin-4-amine Derivatives as Potent USP1/UAF1 Deubiquitinase Inhibitors with Anticancer Activity against Nonsmall Cell Lung Cancer

Dexheimer, Thomas S., Rosenthal, Andrew S., Luci, Diane K., Liang, Qin, Villamil, Mark A., Chen, Junjun, Sun, Hongmao, Kerns, Edward H., Simeonov, Anton, Jadhav, Ajit, Zhuang, Zhihao, Maloney, David J

Journal:

Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.67 MB

english, 2014

7

In situ calcium phosphates deposition in hydrogels of poly(acrylic acid)-polyacrylamide interpenetrating polymer networks

Simeonov, Marin Simeonov, Apostolov, Anton Atanasov, Vassileva, Elena Dimitrova

Journal:

Year:

2016

Language:

english

File:

PDF, 2.09 MB

english, 2016

8

Fluorescence polarization assays in high-throughput screening and drug discovery: a review

Hall, Matthew D, Yasgar, Adam, Peryea, Tyler, Braisted, John C, Jadhav, Ajit, Simeonov, Anton, Coussens, Nathan P

Journal:

Methods and Applications in Fluorescence

Year:

2016

Language:

english

File:

PDF, 2.22 MB

english, 2016

9

Small-Molecule Screens: A Gateway to Cancer Therapeutic Agents with Case Studies of Food and Drug Administration–Approved Drugs

Coussens, Nathan P., Braisted, John C., Peryea, Tyler, Sittampalam, G. Sitta, Simeonov, Anton, Hall, Matthew D., Gottesman, Michael M.

Journal:

Pharmacological Reviews

Year:

2017

Language:

english

File:

PDF, 837 KB

english, 2017

10

Remdesivir: A Review of Its Discovery and Development Leading to Emergency Use Authorization for Treatment of COVID-19

Eastman, Richard T., Roth, Jacob S., Brimacombe, Kyle R., Simeonov, Anton, Shen, Min, Patnaik, Samarjit, Hall, Matthew D.

Journal:

ACS Central Science

Year:

2020

File:

PDF, 2.50 MB

2020

11

Correction to Remdesivir: A Review of Its Discovery and Development Leading to Human Clinical Trials for Treatment of COVID-19

Eastman, Richard T., Roth, Jacob S., Brimacombe, Kyle R., Simeonov, Anton, Shen, Min, Patnaik, Samarjit, Hall, Matthew D.

Journal:

ACS Central Science

Year:

2020

File:

PDF, 343 KB

2020

12

A Highly Potent and Selective Caspase 1 Inhibitor that Utilizes a Key 3-Cyanopropanoic Acid Moiety

Matthew B. Boxer, Amy M. Quinn, Min Shen, Ajit Jadhav, William Leister, Anton Simeonov, Douglas S. Auld, Craig J. Thomas

Journal:

Year:

2010

Language:

english

File:

PDF, 493 KB

english, 2010

13

Inside Cover: A Highly Potent and Selective Caspase 1 Inhibitor that Utilizes a Key 3-Cyanopropanoic Acid Moiety (ChemMedChem 5/2010)

Matthew B. Boxer, Amy M. Quinn, Min Shen, Ajit Jadhav, William Leister, Anton Simeonov, Douglas S. Auld, Craig J. Thomas

Journal:

Year:

2010

Language:

english

File:

PDF, 528 KB

english, 2010

14

Dual-fluorophore quantitative high-throughput screen for inhibitors of BRCT–phosphoprotein interaction

Anton Simeonov, Adam Yasgar, Ajit Jadhav, G.L. Lokesh, Carleen Klumpp, Sam Michael, Christopher P. Austin, Amarnath Natarajan, James Inglese

Journal:

Analytical Biochemistry

Year:

2008

Language:

english

File:

PDF, 542 KB

english, 2008

15

Small molecule inhibitors of DNA repair nuclease activities of APE1

David M. Wilson, Anton Simeonov

Journal:

Cellular and Molecular Life Sciences

Year:

2010

Language:

english

File:

PDF, 575 KB

english, 2010

16

Exploratory analysis of kinetic solubility measurements of a small molecule library

Rajarshi Guha, Thomas S. Dexheimer, Aimee N. Kestranek, Ajit Jadhav, Andrew M. Chervenak, Michael G. Ford, Anton Simeonov, Gregory P. Roth, Craig J. Thomas

Journal:

Bioorganic & Medicinal Chemistry

Year:

2011

Language:

english

File:

PDF, 1.02 MB

english, 2011

17

High-throughput screening assays for the identification of chemical probes

Inglese, James, Johnson, Ronald L, Simeonov, Anton, Xia, Menghang, Zheng, Wei, Austin, Christopher P, Auld, Douglas S

Journal:

Nature Chemical Biology

Year:

2007

Language:

english

File:

PDF, 2.38 MB

english, 2007

18

Identification of oxadiazoles as new drug leads for the control of schistosomiasis

Sayed, Ahmed A, Simeonov, Anton, Thomas, Craig J, Inglese, James, Austin, Christopher P, Williams, David L

Journal:

Nature Medicine

Year:

2008

Language:

english

File:

PDF, 302 KB

english, 2008

19

Synthesis, Biological Evaluation, and Structure–Activity Relationships of a Novel Class of Apurinic/Apyrimidinic Endonuclease 1 Inhibitors

Rai, Ganesha, Vyjayanti, Vaddadi N., Dorjsuren, Dorjbal, Simeonov, Anton, Jadhav, Ajit, Wilson, David M., Maloney, David J.

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 2.29 MB

english, 2012

20

Literature Search and Review

Auld, Doug, Simeonov, Anton, Lea, Wendy, Thomas, Craig

Journal:

Assay and Drug Development Technologies

Year:

2010

Language:

english

File:

PDF, 1.71 MB

english, 2010

21

Inhibition of thioredoxin reductase 1 by porphyrins and other small molecules identified by a high-throughput screening assay

Stefanie Prast-Nielsen, Thomas S. Dexheimer, Lena Schultz, William C. Stafford, Qing Cheng, Jianqiang Xu, Ajit Jadhav, Elias S.J. Arnér, Anton Simeonov

Journal:

Free Radical Biology and Medicine

Year:

2011

Language:

english

File:

PDF, 1.18 MB

english, 2011

22

Investigation of the morphology of cell clones, derived from the mammalian EBTr cell line and their susceptibility to vaccine avian poxvirus strains FK and Dessau

Iskra Ventseslavova Sainova, Anton Ivanov Kril, Konstantin Borisov Simeonov, Theodora Petrova Popova, Ivan Georgiev Ivanov

Journal:

Journal of Virological Methods

Year:

2005

Language:

english

File:

PDF, 153 KB

english, 2005

23

Integration of pro-inflammatory cytokines, 12-lipoxygenase and NOX-1 in pancreatic islet beta cell dysfunction

Jessica R. Weaver, Theodore R. Holman, Yumi Imai, Ajit Jadhav, Victor Kenyon, David J. Maloney, Jerry L. Nadler, Ganesha Rai, Anton Simeonov, David A. Taylor-Fishwick

Journal:

Molecular and Cellular Endocrinology

Year:

2012

Language:

english

File:

PDF, 638 KB

english, 2012

24

Discovery of a Novel Noniminosugar Acid α Glucosidase Chaperone Series

Xiao, Jingbo, Westbroek, Wendy, Motabar, Omid, Lea, Wendy A., Hu, Xin, Velayati, Arash, Zheng, Wei, Southall, Noel, Gustafson, Ann Marie, Goldin, Ehud, Sidransky, Ellen, Liu, Ke, Simeonov, Anton, Tama

Journal:

Journal of Medicinal Chemistry

Year:

2012

Language:

english

File:

PDF, 1.84 MB

english, 2012

25

Characterization of Chemical Libraries for Luciferase Inhibitory Activity

Auld, Douglas S., Southall, Noel T., Jadhav, Ajit, Johnson, Ronald L., Diller, David J., Simeonov, Anton, Austin, Christopher P., Inglese, James

Journal:

Journal of Medicinal Chemistry

Year:

2008

Language:

english

File:

PDF, 548 KB

english, 2008

26

Complementarity Between a Docking and a High-Throughput Screen in Discovering New Cruzain Inhibitors

Ferreira, Rafaela S., Simeonov, Anton, Jadhav, Ajit, Eidam, Oliv, Mott, Bryan T., Keiser, Michael J., McKerrow, James H., Maloney, David J., Irwin, John J., Shoichet, Brian K.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 4.98 MB

english, 2010

27

Identification of Pregnane X Receptor Ligands Using Time-Resolved Fluorescence Resonance Energy Transfer and Quantitative High-Throughput Screening

Shukla, Sunita J., Nguyen, Dac-Trung, MacArthur, Ryan, Simeonov, Anton, Frazee, William J., Hallis, Tina M., Marks, Bryan D., Singh, Upinder, Eliason, Hildegard C., Printen, John, Austin, Christopher

Journal:

Assay and Drug Development Technologies

Year:

2009

Language:

english

File:

PDF, 5.07 MB

english, 2009

28

Firefly Luciferase in Chemical Biology: A Compendium of Inhibitors, Mechanistic Evaluation of Chemotypes, and Suggested Use As a Reporter

Natasha Thorne, Min Shen, Wendy A. Lea, Anton Simeonov, Scott Lovell, Douglas S. Auld, James Inglese

Journal:

Chemistry & Biology

Year:

2012

Language:

english

File:

PDF, 1.88 MB

english, 2012

29

Oxadiazole 2-oxides are toxic to the human hookworm, Ancylostoma ceylanicum, however glutathione reductase is not the primary target

Rebecca S. Treger, Aaron Cook, Ganesha Rai, David J. Maloney, Anton Simeonov, Ajit Jadhav, Craig J. Thomas, David L. Williams, Michael Cappello, Jon J. Vermeire

Journal:

International Journal for Parasitology Drugs and Drug Resistance

Year:

2012

Language:

english

File:

PDF, 255 KB

english, 2012

30

Microscale thermophoresis quantifies biomolecular interactions under previously challenging conditions

Seidel, Susanne A.I., Dijkman, Patricia M., Lea, Wendy A., van den Bogaart, Geert, Jerabek-Willemsen, Moran, Lazic, Ana, Joseph, Jeremiah S., Srinivasan, Prakash, Baaske, Philipp, Simeonov, Anton, Kat

Journal:

Year:

2013

Language:

english

File:

PDF, 981 KB

english, 2013

31

Literature Search and Review

Auld, Doug, Simeonov, Anton, Thomas, Craig

Journal:

Assay and Drug Development Technologies

Year:

2009

Language:

english

File:

PDF, 3.00 MB

english, 2009

32

High-Affinity Inhibitors of Human NAD+-Dependent 15-Hydroxyprostaglandin Dehydrogenase: Mechanisms of Inhibition and Structure-Activity Relationships

Niesen, Frank H., Schultz, Lena, Jadhav, Ajit, Bhatia, Chitra, Guo, Kunde, Maloney, David J., Pilka, Ewa S., Wang, Minghua, Oppermann, Udo, Heightman, Tom D., Simeonov, Anton, Gay, Nick

Journal:

Year:

2010

Language:

english

File:

PDF, 1.41 MB

english, 2010

33

Identification and Optimization of Inhibitors of Trypanosomal Cysteine Proteases: Cruzain, Rhodesain, and TbCatB

Mott, Bryan T., Ferreira, Rafaela S., Simeonov, Anton, Jadhav, Ajit, Ang, Kenny Kean-Hooi, Leister, William, Shen, Min, Silveira, Julia T., Doyle, Patricia S., Arkin, Michelle R., McKerrow, James H.,

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 2.01 MB

english, 2010

34

Recent developments in the use of differential scanning fluorometry in protein and small molecule discovery and characterization

Simeonov, Anton

Journal:

Expert Opinion on Drug Discovery

Year:

2013

Language:

english

File:

PDF, 351 KB

english, 2013

35

Literature Search and Review

Auld, Doug, Simeonov, Anton, Thomas, Craig

Journal:

Assay and Drug Development Technologies

Year:

2009

Language:

english

File:

PDF, 1.17 MB

english, 2009

36

A Robotic Platform for Quantitative High-Throughput Screening

Michael, Sam, Auld, Douglas, Klumpp, Carleen, Jadhav, Ajit, Zheng, Wei, Thorne, Natasha, Austin, Christopher P., Inglese, James, Simeonov, Anton

Journal:

Assay and Drug Development Technologies

Year:

2008

Language:

english

File:

PDF, 880 KB

english, 2008

37

Peroxiredoxin-1 from the Human Hookworm Ancylostoma ceylanicum Forms a Stable Oxidized Decamer and Is Covalently Inhibited by Conoidin A

Nguyen, Jennifer B., Pool, Christopher D., Wong, Christina Y.B., Treger, Rebecca S., Williams, David L., Cappello, Michael, Lea, Wendy A., Simeonov, Anton, Vermeire, Jon J., Modis, Yorgo

Journal:

Chemistry & Biology

Year:

2013

Language:

english

File:

PDF, 2.87 MB

english, 2013

38

Synthesis and SAR studies of 5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine derivatives as potent inhibitors of Bloom helicase

Rosenthal, Andrew S., Dexheimer, Thomas S., Gileadi, Opher, Nguyen, Giang H., Chu, Wai Kit, Hickson, Ian D., Jadhav, Ajit, Simeonov, Anton, Maloney, David J.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2013

Language:

english

File:

PDF, 1.00 MB

english, 2013

39

Discovery of Potent and Selective Inhibitors of Human Reticulocyte 15-Lipoxygenase-1

Rai, Ganesha, Kenyon, Victor, Jadhav, Ajit, Schultz, Lena, Armstrong, Michelle, Jameson, J. Brian, Hoobler, Eric, Leister, William, Simeonov, Anton, Holman, Theodore R., Maloney, David J.

Journal:

Journal of Medicinal Chemistry

Year:

2010

Language:

english

File:

PDF, 1.62 MB

english, 2010

40

Fluorescence polarization assays in small molecule screening

Lea, Wendy A, Simeonov, Anton

Journal:

Expert Opinion on Drug Discovery

Year:

2011

Language:

english

File:

PDF, 716 KB

english, 2011

41

Targeting iron assimilation to develop new antibacterials

Foley, Timothy L, Simeonov, Anton

Journal:

Expert Opinion on Drug Discovery

Year:

2012

Language:

english

File:

PDF, 659 KB

english, 2012

42

A fluorescence-based high throughput assay for the determination of small molecule−human serum albumin protein binding

McCallum, Megan M., Pawlak, Alan J., Shadrick, William R., Simeonov, Anton, Jadhav, Ajit, Yasgar, Adam, Maloney, David J., Arnold, Leggy A.

Journal:

Analytical and Bioanalytical Chemistry

Year:

2014

Language:

english

File:

PDF, 596 KB

english, 2014

43

A High-Throughput Screen for Aggregation-Based Inhibition in a Large Compound Library

Feng, Brian Y., Simeonov, Anton, Jadhav, Ajit, Babaoglu, Kerim, Inglese, James, Shoichet, Brian K., Austin, Christopher P.

Journal:

Journal of Medicinal Chemistry

Year:

2007

Language:

english

File:

PDF, 252 KB

english, 2007

44

Kinetic characterization of ebselen, chelerythrine and apomorphine as glutaminase inhibitors

Thomas, Ajit G., Rojas, Camilo, Tanega, Cordelle, Shen, Min, Simeonov, Anton, Boxer, Matthew B., Auld, Douglas S., Ferraris, Dana V., Tsukamoto, Takashi, Slusher, Barbara S.

Journal:

Biochemical and Biophysical Research Communications

Year:

2013

Language:

english

File:

PDF, 1.30 MB

english, 2013

45

Identification of ML251, a Potent Inhibitor of T. brucei and T. cruzi Phosphofructokinase

Brimacombe, Kyle R., Walsh, Martin J., Liu, Li, Vásquez-Valdivieso, Montserrat G., Morgan, Hugh P., McNae, Iain, Fothergill-Gilmore, Linda A., Michels, Paul A. M., Auld, Douglas S., Simeonov, Anton, W

Journal:

ACS Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 1.05 MB

english, 2014

46

Potent and Selective Inhibitors of Human Reticulocyte 12/15-Lipoxygenase as Anti-Stroke Therapies

Rai, Ganesha, Joshi, Netra, Jung, Joo Eun, Liu, Yu, Schultz, Lena, Yasgar, Adam, Perry, Steve, Diaz, Giovanni, Zhang, Qiangli, Kenyon, Victor, Jadhav, Ajit, Simeonov, Anton, Lo, Eng H., van Leyen, Kla

Journal:

Journal of Medicinal Chemistry

Year:

2014

Language:

english

File:

PDF, 1.87 MB

english, 2014

47

Structure–activity relationship studies and biological characterization of human NAD+-dependent 15-hydroxyprostaglandin dehydrogenase inhibitors

Duveau, Damien Y., Yasgar, Adam, Wang, Yuhong, Hu, Xin, Kouznetsova, Jennifer, Brimacombe, Kyle R., Jadhav, Ajit, Simeonov, Anton, Thomas, Craig J., Maloney, David J.

Journal:

Bioorganic & Medicinal Chemistry Letters

Year:

2014

Language:

english

File:

PDF, 2.13 MB

english, 2014

48

The Tox21 robotic platform for the assessment of environmental chemicals – from vision to reality

Attene-Ramos, Matias S., Miller, Nicole, Huang, Ruili, Michael, Sam, Itkin, Misha, Kavlock, Robert J., Austin, Christopher P., Shinn, Paul, Simeonov, Anton, Tice, Raymond R., Xia, Menghang

Journal:

Drug Discovery Today

Year:

2013

Language:

english

File:

PDF, 2.76 MB

english, 2013

49

A High-Throughput 1,536-Well Luminescence Assay for Glutathione S-Transferase Activity

Yasgar, Adam, Shultz, John, Zhou, Wenhui, Wang, Hui, Huang, Fen, Murphy, Nancy, Abel, Erika L., DiGiovanni, John, Inglese, James, Simeonov, Anton

Journal:

Assay and Drug Development Technologies

Year:

2010

Language:

english

File:

PDF, 738 KB

english, 2010

50

Structural insight into exosite binding and discovery of novel exosite inhibitors of botulinum neurotoxin serotype A through in silico screening

Hu, Xin, Legler, Patricia M., Southall, Noel, Maloney, David J., Simeonov, Anton, Jadhav, Ajit

Journal:

Journal of Computer-Aided Molecular Design

Year:

2014

Language:

english

File:

PDF, 2.51 MB

english, 2014