Phantom PAINS: Problems with the Utility of Alerts for Pan-Assay INterference CompoundS

por Capuzzi, Stephen J., Muratov, Eugene N., Tropsha, Alexander
Publicado no J Chem Inf Model (2017)

Computer-Aided Discovery of New Solubility-Enhancing Drug Delivery System

por Mizera, Mikołaj, Muratov, Eugene N., Alves, Vinicius M., Tropsha, Alexander, Cielecka-Piontek, Judyta
Publicado no Biomolecules (2020)

Natural Bioactive Products with Antioxidant Properties Useful in Neurodegenerative Diseases 2020

por Mendonça-Junior, Francisco Jaime Bezerra, Scotti, Marcus Tullius, Muratov, Eugene N., Scotti, Luciana, Nayarisseri, Anuraj
Publicado no Oxid Med Cell Longev (2021)

Chemical toxicity prediction for major classes of industrial chemicals: Is it possible to develop universal models covering cosmetics, drugs, and pesticides?

por Alves, Vinicius M., Muratov, Eugene N., Zakharov, Alexey, Muratov, Nail N., Andrade, Carolina H., Tropsha, Alexander
Publicado no Food Chem Toxicol (2017)

Chembench: A Publicly-Accessible, Integrated Cheminformatics Portal

por Capuzzi, Stephen J., Kim, Ian Sang-June, Lam, Wai In, Thornton, Thomas E., Muratov, Eugene N., Pozefsky, Diane, Tropsha, Alexander
Publicado no J Chem Inf Model (2017)

Chemistry-Wide Association Studies (CWAS): A Novel Framework for Identifying and Interpreting Structure-Activity Relationships

por Low, Yen S., Alves, Vinicius M., Fourches, Denis, Sedykh, Alexander, Andrade, Carolina Horta, Muratov, Eugene N., Rusyn, Ivan, Tropsha, Alexander
Publicado no J Chem Inf Model (2018)

Simplex representation of molecular structure as universal QSAR/QSPR tool

por Kuz’min, Victor, Artemenko, Anatoly, Ognichenko, Luidmyla, Hromov, Alexander, Kosinskaya, Anna, Stelmakh, Sergij, Sessions, Zoe L., Muratov, Eugene N.
Publicado no Struct Chem (2021)

Modernization of Enoxaparin Molecular Weight Determination Using Homogeneous Standards

por Arnold, Katelyn M., Capuzzi, Stephen J., Xu, Yongmei, Muratov, Eugene N., Carrick, Kevin, Szajek, Anita Y., Tropsha, Alexander, Liu, Jian
Publicado no Pharmaceuticals (Basel) (2017)

QSAR-Based Virtual Screening: Advances and Applications in Drug Discovery

por Neves, Bruno J., Braga, Rodolpho C., Melo-Filho, Cleber C., Moreira-Filho, José Teófilo, Muratov, Eugene N., Andrade, Carolina Horta
Publicado no Front Pharmacol (2018)

Computational models identify several FDA approved or experimental drugs as putative agents against SARS-CoV-2

por Bobrowski, Tesia, Alves, Vinicius M., Melo-Filho, Cleber C., Korn, Daniel, Auerbach, Scott, Schmitt, Charles, Muratov, Eugene N., Tropsha, Alexander
Publicado no ChemRxiv (2020)

Chemotext: A Publicly-Available Web Server for Mining Drug-Target-Disease Relationships in PubMed

por Capuzzi, Stephen J., Thornton, Thomas E., Liu, Kammy, Baker, Nancy, Lam, Wai In, O’Banion, Colin P., Muratov, Eugene N., Pozefsky, Diane, Tropsha, Alexander
Publicado no J Chem Inf Model (2018)

Chalcone Derivatives: Promising Starting Points for Drug Design

por Gomes, Marcelo N., Muratov, Eugene N., Pereira, Maristela, Peixoto, Josana C., Rosseto, Lucimar P., Cravo, Pedro V. L., Andrade, Carolina H., Neves, Bruno J.
Publicado no Molecules (2017)

Unveiling the Kinomes of Leishmania infantum and L. braziliensis Empowers the Discovery of New Kinase Targets and Antileishmanial Compounds

por Borba, Joyce V.B., Silva, Arthur C., Ramos, Pablo I.P., Grazzia, Nathalia, Miguel, Danilo C., Muratov, Eugene N., Furnham, Nicholas, Andrade, Carolina H.
Publicado no Comput Struct Biotechnol J (2019)

Computationally-guided drug repurposing enables the discovery of kinase targets and inhibitors as new schistosomicidal agents

por Giuliani, Sandra, Silva, Arthur C., Borba, Joyce V. V. B., Ramos, Pablo I. P., Paveley, Ross A., Muratov, Eugene N., Andrade, Carolina Horta, Furnham, Nicholas
Publicado no PLoS Comput Biol (2018)

Deep Learning-driven research for drug discovery: Tackling Malaria

por Neves, Bruno J., Braga, Rodolpho C., Alves, Vinicius M., Lima, Marília N. N., Cassiano, Gustavo C., Muratov, Eugene N., Costa, Fabio T. M., Andrade, Carolina Horta
Publicado no PLoS Comput Biol (2020)

Virtual Screening and Molecular Design Based on Hierarchical Qsar Technology

por Kuz’min, Victor E., Artemenko, A.G., Muratov, Eugene N., Polischuk, P.G., Ognichenko, L.N., Liahovsky, A.V., Hromov, A.I., Varlamova, E.V.
Publicado no Recent Advances in QSAR Studies (2009)

Multi-Descriptor Read Across (MuDRA): a simple and transparent approach for developing accurate QSAR models

por Alves, Vinicius M., Golbraikh, Alexander, Capuzzi, Stephen J., Liu, Kammy, Lam, Wai In, Korn, Daniel Robert, Pozefsky, Diane, Andrade, Carolina Horta, Muratov, Eugene N., Tropsha, Alexander
Publicado no J Chem Inf Model (2018)

Learning from history: do not flatten the curve of antiviral research!

por Bobrowski, Tesia, Melo-Filho, Cleber C., Korn, Daniel, Alves, Vinicius M., Popov, Konstantin I., Auerbach, Scott, Schmitt, Charles, Moorman, Nathaniel J., Muratov, Eugene N., Tropsha, Alexander
Publicado no Drug Discov Today (2020)

Synthesis and structure activity relationships of DCLK1 kinase inhibitors based on a 5,11-dihydro-6H-benzo[e]pyrimido[5,4-b][1,4]diazepin-6-one scaffold

por Ferguson, Fleur M., Liu, Yan, Harshbarger, Wayne, Huang, Ling, Wang, Jinhua, Deng, Xianming, Capuzzi, Stephen J., Muratov, Eugene N., Tropsha, Alexander, Muthuswamy, Senthil, Westover, Kenneth D., Gray, Nathanael S.
Publicado no J Med Chem (2020)

Discovery of Synergistic and Antagonistic Drug Combinations against SARS-CoV-2 In Vitro

por Bobrowski, Tesia, Chen, Lu, Eastman, Richard T., Itkin, Zina, Shinn, Paul, Chen, Catherine, Guo, Hui, Zheng, Wei, Michael, Sam, Simeonov, Anton, Hall, Matthew D., Zakharov, Alexey V., Muratov, Eugene N.
Publicado no bioRxiv (2020)