Search Results - "Jenkins, Jeremy L"

Identifying compound efficacy targets in phenotypic drug discovery by Schirle, Markus, Jenkins, Jeremy L.

“…•Compound target ID technologies have unique strengths that can be used strategically.•Target ID approaches are trending toward unbiased, genome-wide…”
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Large-scale prediction and testing of drug activity on side-effect targets by Lounkine, Eugen, Keiser, Michael J., Whitebread, Steven, Mikhailov, Dmitri, Hamon, Jacques, Jenkins, Jeremy L., Lavan, Paul, Weber, Eckhard, Doak, Allison K., Côté, Serge, Shoichet, Brian K., Urban, Laszlo

“…Discovering the unintended ‘off-targets’ that predict adverse drug reactions is daunting by empirical methods alone. Drugs can act on several protein targets,…”
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Evidence-Based and Quantitative Prioritization of Tool Compounds in Phenotypic Drug Discovery by Wang, Yuan, Cornett, Allen, King, Fred J, Mao, Yi, Nigsch, Florian, Paris, C Gregory, McAllister, Gregory, Jenkins, Jeremy L

“…The use of potent and selective chemical tools with well-defined targets can help elucidate biological processes driving phenotypes in phenotypic screens…”
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From in silico target prediction to multi-target drug design: Current databases, methods and applications by Koutsoukas, Alexios, Simms, Benjamin, Kirchmair, Johannes, Bond, Peter J., Whitmore, Alan V., Zimmer, Steven, Young, Malcolm P., Jenkins, Jeremy L., Glick, Meir, Glen, Robert C., Bender, Andreas

“…Given the tremendous growth of bioactivity databases, the use of computational tools to predict protein targets of small molecules has been gaining importance…”
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Prediction of Biological Targets for Compounds Using Multiple-Category Bayesian Models Trained on Chemogenomics Databases by Nidhi, Glick, Meir, Davies, John W, Jenkins, Jeremy L

“…Target identification is a critical step following the discovery of small molecules that elicit a biological phenotype. The present work seeks to provide an in…”
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Integrating high-content screening and ligand-target prediction to identify mechanism of action by Jenkins, Jeremy L, Feng, Yan, Young, Daniel W, Bender, Andreas, Hoyt, Jonathan, McWhinnie, Elizabeth, Chirn, Gung-Wei, Tao, Charles Y, Tallarico, John A, Labow, Mark, Mitchison, Timothy J

“…High-content screening is transforming drug discovery by enabling simultaneous measurement of multiple features of cellular phenotype that are relevant to…”
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Pocket Crafter: a 3D generative modeling based workflow for the rapid generation of hit molecules in drug discovery by Shen, Lingling, Fang, Jian, Liu, Lulu, Yang, Fei, Jenkins, Jeremy L., Kutchukian, Peter S., Wang, He

“…We present a user-friendly molecular generative pipeline called Pocket Crafter, specifically designed to facilitate hit finding activity in the drug discovery…”
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Size uniformity of animal cells is actively maintained by a p38 MAPK-dependent regulation of G1-length by Liu, Shixuan, Ginzberg, Miriam Bracha, Patel, Nish, Hild, Marc, Leung, Bosco, Li, Zhengda, Chen, Yen-Chi, Chang, Nancy, Wang, Yuan, Tan, Ceryl, Diena, Shulamit, Trimble, William, Wasserman, Larry, Jenkins, Jeremy L, Kirschner, Marc W, Kafri, Ran

“…Animal cells within a tissue typically display a striking regularity in their size. To date, the molecular mechanisms that control this uniformity are still…”
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Analysis of Pharmacology Data and the Prediction of Adverse Drug Reactions and Off-Target Effects from Chemical Structure by Bender, Andreas, Scheiber, Josef, Glick, Meir, Davies, John W., Azzaoui, Kamal, Hamon, Jacques, Urban, Laszlo, Whitebread, Steven, Jenkins, Jeremy L.

“…Preclinical Safety Pharmacology (PSP) attempts to anticipate adverse drug reactions (ADRs) during early phases of drug discovery by testing compounds in…”
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Ten simple rules to power drug discovery with data science by Ferrero, Enrico, Brachat, Sophie, Jenkins, Jeremy L, Marc, Philippe, Skewes-Cox, Peter, Altshuler, Robert C, Gubser Keller, Caroline, Kauffmann, Audrey, Sassaman, Erik K, Laramie, Jason M, Schoeberl, Birgit, Borowsky, Mark L, Stiefl, Nikolaus

“…The combination of data, computing power, and advanced analytics is positioning data science as a critical core discipline in pharmaceutical research,…”
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Data-Driven Derivation of an “Informer Compound Set” for Improved Selection of Active Compounds in High-Throughput Screening by Paricharak, Shardul, IJzerman, Adriaan P, Jenkins, Jeremy L, Bender, Andreas, Nigsch, Florian

“…Despite the usefulness of high-throughput screening (HTS) in drug discovery, for some systems, low assay throughput or high screening cost can prohibit the…”
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Indolyl-Pyridinyl-Propenone-Induced Methuosis through the Inhibition of PIKFYVE by Cho, Hyelim, Geno, Erin, Patoor, Maude, Reid, Adam, McDonald, Rick, Hild, Marc, Jenkins, Jeremy L

“…Methuosis is a form of nonapoptotic cell death characterized by the accumulation of macropinosome-derived vacuoles. Herein, we identify PIKFYVE, a class III…”
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Streamlining lead discovery by aligning in silico and high-throughput screening by Davies, John W, Glick, Meir, Jenkins, Jeremy L

“…Lead discovery in the pharmaceutical environment is largely an industrial-scale process in which it is typical to screen 1–5 million compounds in a matter of…”
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Using Information from Historical High-Throughput Screens to Predict Active Compounds by Riniker, Sereina, Wang, Yuan, Jenkins, Jeremy L, Landrum, Gregory A

“…Modern high-throughput screening (HTS) is a well-established approach for hit finding in drug discovery that is routinely employed in the pharmaceutical…”
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Structure of the DDB1–CRBN E3 ubiquitin ligase in complex with thalidomide by Fischer, Eric S., Böhm, Kerstin, Lydeard, John R., Yang, Haidi, Stadler, Michael B., Cavadini, Simone, Nagel, Jane, Serluca, Fabrizio, Acker, Vincent, Lingaraju, Gondichatnahalli M., Tichkule, Ritesh B., Schebesta, Michael, Forrester, William C., Schirle, Markus, Hassiepen, Ulrich, Ottl, Johannes, Hild, Marc, Beckwith, Rohan E. J., Harper, J. Wade, Jenkins, Jeremy L., Thomä, Nicolas H.

“…In the 1950s, the drug thalidomide, administered as a sedative to pregnant women, led to the birth of thousands of children with multiple defects. Despite the…”
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A Small-Molecule Inhibitor of the Ribonucleolytic Activity of Human, Angiogenin That Possesses Antitumor Activity by Richard Y. T. Kao, Jenkins, Jeremy L., Olson, Karen A., Key, Marc E., Fett, James W., Shapiro, Robert

“…The results of previous preclinical and clinical studies have identified angiogenin (ANG) as a potentially important target for anti-cancer therapy. Here we…”
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Virtual screening to enrich hit lists from high-throughput screening: A case study on small-molecule inhibitors of angiogenin by Jenkins, Jeremy L., Kao, Richard Y. T., Shapiro, Robert

“…“Hit lists” generated by high‐throughput screening (HTS) typically contain a large percentage of false positives, making follow‐up assays necessary to…”
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Cell size homeostasis is maintained by CDK4-dependent activation of p38 MAPK by Tan, Ceryl, Ginzberg, Miriam B., Webster, Rachel, Iyengar, Seshu, Liu, Shixuan, Papadopoli, David, Concannon, John, Wang, Yuan, Auld, Douglas S., Jenkins, Jeremy L., Rost, Hannes, Topisirovic, Ivan, Hilfinger, Andreas, Derry, W. Brent, Patel, Nish, Kafri, Ran

“…While molecules that promote the growth of animal cells have been identified, it remains unclear how such signals are orchestrated to determine a…”
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Compound Activity Prediction with Dose-Dependent Transcriptomic Profiles and Deep Learning by Godinez, William J., Trifonov, Vladimir, Fang, Bin, Kuzu, Guray, Pei, Luying, Guiguemde, W. Armand, Martin, Eric J., King, Frederick J., Jenkins, Jeremy L., Skewes-Cox, Peter

“…Predicting compound activity in assays is a long-standing challenge in drug discovery. Computational models based on compound-induced gene expression…”
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How Similar Are Similarity Searching Methods? A Principal Component Analysis of Molecular Descriptor Space by Bender, Andreas, Jenkins, Jeremy L, Scheiber, Josef, Sukuru, Sai Chetan K, Glick, Meir, Davies, John W

“…Different molecular descriptors capture different aspects of molecular structures, but this effect has not yet been quantified systematically on a large scale…”
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