Alexey V Zakharov (Alexey Zakharov)

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 25

Top Topics

Positive Breast Cancer

Respiratory Syndrome Coronavirus

Top Venues

ACS pharmacology & translational science

Journal of chemical information and modeling

Journal of medicinal chemistry

Proceedings of the National Academy of Sciences of the United States of America

This page only lists publications with an associated author ORCID identifier.

Publications

Marielle Rath, James Wellnitz, Holli-Joi Sullivan, Cleber Melo-Filho, Joshua E Hochuli, Guilherme Martins Silva, Jon-Michael Beasley, Maxfield Travis, Zoe L Sessions, Konstantin I Popov, Alexey V Zakharov, Artem Cherkasov, Vinicius Alves, Eugene N Muratov, Alexander Trospsha
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles. Journal of medicinal chemistry (2024)
Kalyan Golla, Adam Yasgar, Voddarahally N Manjuprasanna, Meghna U Naik, Bolormaa Baljinnyam, Alexey V Zakharov, Sankalp Jain, Ganesha Rai, Ajit Jadhav, Anton Simeonov, Ulhas P Naik
Small-Molecule Disruptors of the Interaction between Calcium- and Integrin-Binding Protein 1 and Integrin α IIb β 3 as Novel Antiplatelet Agents. ACS pharmacology & translational science 7 (7) (2024)
Marielle Rath, James Wellnitz, Holli-Joi Sullivan, Cleber Melo-Filho, Joshua E Hochuli, Guilherme Martins Silva, Jon-Michael Beasley, Maxfield Travis, Zoe L Sessions, Konstantin I Popov, Alexey V Zakharov, Artem Cherkasov, Vinicius Alves, Eugene N Muratov, Alexander Trospsha
Pharmacokinetics Profiler (PhaKinPro): Model Development, Validation, and Implementation as a Web Tool for Triaging Compounds with Undesired Pharmacokinetics Profiles. Journal of medicinal chemistry 67 (8) (2024)
Megan N Doleschal, Jenna Miller, Sankalp Jain, Alexey V Zakharov, Ganesha Rai, Anton Simeonov, Bolormaa Baljinnyam, Zhihao Zhuang
Cell-Based Covalent-Capture Deubiquitinase Assay for Inhibitor Discovery. ACS pharmacology & translational science 7 (9) (2024)
Kalyan Golla, Adam Yasgar, Voddarahally N Manjuprasanna, Meghna U Naik, Bolormaa Baljinnyam, Alexey V Zakharov, Sankalp Jain, Ganesha Rai, Ajit Jadhav, Anton Simeonov, Ulhas P Naik
Small-Molecule Disruptors of the Interaction between Calcium- and Integrin-Binding Protein 1 and Integrin α IIb β 3 as Novel Antiplatelet Agents. ACS pharmacology & translational science 7 (7) (2024)
Vinicius M Alves, Adam Yasgar, James Wellnitz, Ganesha Rai, Marielle Rath, Rodolpho C Braga, Stephen J Capuzzi, Anton Simeonov, Eugene N Muratov, Alexey V Zakharov, Alexander Trospsha
Lies and Liabilities: Computational Assessment of High-Throughput Screening Hits to Identify Artifact Compounds. Journal of medicinal chemistry (2023)
Adam Yasgar, Danielle Bougie, Richard T Eastman, Ruili Huang, Misha Itkin, Jennifer Kouznetsova, Caitlin Lynch, Crystal McKnight, Mitch Miller, Deborah K Ngan, Tyler Peryea, Pranav Shah, Paul Shinn, Menghang Xia, Xin Xu, Alexey V Zakharov, Anton Simeonov
Quantitative Bioactivity Signatures of Dietary Supplements and Natural Products. ACS pharmacology & translational science 6 (5) (2023)
Adam Yasgar, Danielle Bougie, Richard T Eastman, Ruili Huang, Misha Itkin, Jennifer Kouznetsova, Caitlin Lynch, Crystal McKnight, Mitch Miller, Deborah K Ngan, Tyler Peryea, Pranav Shah, Paul Shinn, Menghang Xia, Xin Xu, Alexey V Zakharov, Anton Simeonov
Quantitative Bioactivity Signatures of Dietary Supplements and Natural Products. ACS pharmacology & translational science 6 (5) (2023)
Adam Yasgar, Danielle Bougie, Richard T Eastman, Ruili Huang, Misha Itkin, Jennifer Kouznetsova, Caitlin Lynch, Crystal McKnight, Mitch Miller, Deborah K Ngan, Tyler Peryea, Pranav Shah, Paul Shinn, Menghang Xia, Xin Xu, Alexey V Zakharov, Anton Simeonov
Quantitative Bioactivity Signatures of Dietary Supplements and Natural Products. ACS pharmacology & translational science 6 (5) (2023)
Haider H Dar, Karolina Mikulska-Ruminska, Yulia Y Tyurina, Diane K Luci, Adam Yasgar, Svetlana N Samovich, Alexander A Kapralov, Austin B Souryavong, Vladimir A Tyurin, Andrew A Amoscato, Michael W Epperly, Galina V Shurin, Melissa Standley, Theodore R Holman, Claudette M St Croix, Simon C Watkins, Andrew P VanDemark, Sandeep Rana, Alexey V Zakharov, Anton Simeonov, Juan Jose Marugan, Rama K Mallampalli, Sally E Wentzel, Joel S Greenberger, Ganesha Rai, Hülya Bayir, Ivet Bahar, Valerian E Kagan
Discovering selective antiferroptotic inhibitors of the 15LOX/PEBP1 complex noninterfering with biosynthesis of lipid mediators. Proceedings of the National Academy of Sciences of the United States of America 120 (25) (2023)
Pengfei Yu, Shuwen Cao, Shyh-Ming Yang, Ganesha Rai, Natalia J Martinez, Adam Yasgar, Alexey V Zakharov, Anton Simeonov, William A Molina-Arocho, Graham P Lobel, Hesham Mohei, Alexis L Scott, Li Zhai, Emma E Furth, M Celeste Simon, Malay Haldar
RALDH1 inhibition shows immunotherapeutic efficacy in hepatocellular carcinoma. Cancer immunology research (2023)
Joshua E Hochuli, Sankalp Jain, Cleber Melo-Filho, Zoe L Sessions, Tesia Bobrowski, Jun Choe, Johnny Zheng, Richard T Eastman, Daniel C Talley, Ganesha Rai, Anton Simeonov, Alexander Trospsha, Eugene N Muratov, Bolormaa Baljinnyam, Alexey V Zakharov
Allosteric Binders of ACE2 Are Promising Anti-SARS-CoV-2 Agents. ACS pharmacology & translational science 5 (7) (2022)
Guangping Dong, Youchao Deng, Adam Yasgar, Ravi Yadav, Daniel Talley, Alexey V Zakharov, Sankalp Jain, Ganesha Rai, Nicholas Noinaj, Anton Simeonov, Rong Huang
Venglustat Inhibits Protein N-Terminal Methyltransferase 1 in a Substrate-Competitive Manner. Journal of medicinal chemistry 65 (18) (2022)
Sankalp Jain, Daniel C Talley, Bolormaa Baljinnyam, Jun Choe, Quinlin Hanson, Wei Zhu, Miao Xu, Catherine Z Chen, Wei Zheng, Xin Hu, Min Shen, Ganesha Rai, Matthew D Hall, Anton Simeonov, Alexey V Zakharov
Hybrid In Silico Approach Reveals Novel Inhibitors of Multiple SARS-CoV-2 Variants. ACS pharmacology & translational science 4 (5) (2021)
Juan Alvarez-Gonzalez, Adam Yasgar, Robert W Maul, Amanda E Rieffer, Daniel J Crawford, Daniel J Salamango, Dorjbal Dorjsuren, Alexey V Zakharov, Daniel J Jansen, Ganesha Rai, Juan Jose Marugan, Anton Simeonov, Reuben S Harris, Rahul M Kohli, Patricia J Gearhart
Small Molecule Inhibitors of Activation-Induced Deaminase Decrease Class Switch Recombination in B Cells. ACS pharmacology & translational science 4 (3) (2021)
Sankalp Jain, Vishal B Siramshetty, Vinicius M Alves, Eugene N Muratov, Nicole C Kleinstreuer, Alexander Trospsha, Marc C Nicklaus, Anton Simeonov, Alexey V Zakharov
Large-Scale Modeling of Multispecies Acute Toxicity End Points Using Consensus of Multitask Deep Learning Methods. Journal of chemical information and modeling 61 (2) (2021)
Hunter G Larson, Alexey V Zakharov, Sukumar Sarkar, Shyh-Ming Yang, Ganesha Rai, James M Larner, Anton Simeonov, Natalia J Martinez
A Genome-Edited ERα-HiBiT Fusion Reporter Cell Line for the Identification of ERα Modulators Via High-Throughput Screening and CETSA. Assay and drug development technologies 19 (8) (2021)
Wengong Jin, Jonathan M Stokes, Richard T Eastman, Zina Itkin, Alexey V Zakharov, James J Collins, Tommi S Jaakkola, Regina Barzilay
Deep learning identifies synergistic drug combinations for treating COVID-19. Proceedings of the National Academy of Sciences of the United States of America 118 (39) (2021)
Xin Hu, Jonathan H Shrimp, Hui Guo, Miao Xu, Catherine Z Chen, Wei Zhu, Alexey V Zakharov, Sankalp Jain, Paul Shinn, Anton Simeonov, Matthew D Hall, Min Shen
Discovery of TMPRSS2 Inhibitors from Virtual Screening as a Potential Treatment of COVID-19. ACS pharmacology & translational science 4 (3) (2021)
Guangping Dong, Adam Yasgar, Darrell L Peterson, Alexey V Zakharov, Daniel Talley, Ken Chih-Chien Cheng, Ajit Jadhav, Anton Simeonov, Rong Huang
Optimization of High-Throughput Methyltransferase Assays for the Discovery of Small Molecule Inhibitors. ACS combinatorial science 22 (8) (2020)
Vishal B Siramshetty, Dac-Trung Nguyen, Natalia J Martinez, Noel T Southall, Anton Simeonov, Alexey V Zakharov
Critical Assessment of Artificial Intelligence Methods for Prediction of hERG Channel Inhibition in the "Big Data" Era. Journal of chemical information and modeling 60 (12) (2020)
Vinicius M Alves, Stephen J Capuzzi, Rodolpho C Braga, Daniel Korn, Joshua E Hochuli, Kyle H Bowler, Adam Yasgar, Ganesha Rai, Anton Simeonov, Eugene N Muratov, Alexey V Zakharov, Alexander Trospsha
SCAM Detective: Accurate Predictor of Small, Colloidally Aggregating Molecules. Journal of chemical information and modeling 60 (8) (2020)
Koen D Flach, Manikandan Periyasamy, Ajit Jadhav, Dorjbal Dorjsuren, Joseph C Siefert, Theresa E Hickey, Mark Opdam, Hetal Patel, Sander Canisius, David M Wilson, Maria Donaldson Collier, Stefan Prekovic, Marja Nieuwland, Roelof J C Kluin, Alexey V Zakharov, Jelle Wesseling, Lodewyk F A Wessels, Sabine C Linn, Wayne D Tilley, Anton Simeonov, Simak Ali, Wilbert Zwart
Endonuclease FEN1 Coregulates ERα Activity and Provides a Novel Drug Interface in Tamoxifen-Resistant Breast Cancer. Cancer research 80 (10) (2020)
Alexey V Zakharov, Tongan Zhao, Dac-Trung Nguyen, Tyler Peryea, Timothy Sheils, Adam Yasgar, Ruili Huang, Noel Southall, Anton Simeonov
Novel Consensus Architecture To Improve Performance of Large-Scale Multitask Deep Learning QSAR Models. Journal of chemical information and modeling 59 (11) (2019)
Alexey A Lagunin, Athina Geronikaki, Phaedra Eleftheriou, Pavel V Pogodin, Alexey V Zakharov
Rational Use of Heterogeneous Data in Quantitative Structure-Activity Relationship (QSAR) Modeling of Cyclooxygenase/Lipoxygenase Inhibitors. Journal of chemical information and modeling 59 (2) (2019)