GCC-3DRC

GCC-3DRC

An end-to-end academic drug discovery resource center

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A list of all the posts and pages found on the site. For you robots out there is an XML version available for digesting as well.

Pages

Posts

Future Blog Post

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Blog Post number 4

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Blog Post number 1

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leadership

library-details

platform

Program Overview

The Texas A&M Drug Discovery and Development Resource Center (3DRC) offers an integrated platform that accelerates therapeutic development by combining advanced capabilities in generative AI-driven ligand design, synthetic and medicinal chemistry, high-throughput screening, and data science.

Drug Discovery and Generative Design

Our Generative AI Platform leverages cutting-edge tools and models to design high-quality ligands, enhancing the efficiency of the discovery process. By utilizing machine learning methods, we can generate novel compounds with desired properties, streamlining the initial stages of drug development.

Synthetic and Medicinal Chemistry

The Synthetic and Medicinal Chemistry Program provides state-of-the-art infrastructure for the synthesis and optimization of compounds. Our team of experts employs industry-standard instrumentation to create and refine molecules, ensuring they meet the necessary criteria for therapeutic efficacy and safety.

High-throughput Screening Center

Our High-Throughput Screening Center supports a broad range of assay formats,and endpoints to enable rapid and comprehensive testing of compounds. Lower throughput high content assays for lead optimization and Toxicity profiling are also available.

Informatics and Data Science

Finally, the Screening Informatics and Data Science Program ensures robust data analysis and visualization throughout the drug discovery process. By integrating data science techniques, we can interpret complex datasets, facilitating informed decision-making and accelerating the development of novel therapeutics.

publications

Defining-estrogenic-mechanisms-of-bisphenol-A-analogs-through-high-throughput-microscopy-based-contextual-assays

Published in Chemistry and Biology, 2014

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Recommended citation: F. Stossi, M.J. Bolt, F.J. Ashcroft, J.E. Lamerdin, J.S. Melnick, R.T. Powell, R.D. Dandekar, M.G. Mancini, C.L. Walker, J.K. Westwick, M.A. Mancini. "Defining-estrogenic-mechanisms-of-bisphenol-A-analogs-through-high-throughput-microscopy-based-contextual-assays." Chemistry and Biology, 2014.

ATM-functions-at-the-peroxisome-to-induce-pexophagy-in-response-to-ROS

Published in Nature Cell Biology, 2015

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Recommended citation: J. Zhang, D.N. Tripathi, J. Jing, A. Alexander, J. Kim, R.T. Powell, R. Dere, J. Tait-Mulder, J.-H. Lee, T.T. Paull, R.K. Pandita, V.K. Charaka, T.K. Pandita, M.B. Kastan, C.L. Walker. "ATM-functions-at-the-peroxisome-to-induce-pexophagy-in-response-to-ROS." Nature Cell Biology, 2015.

Dual-Chromatin-and-Cytoskeletal-Remodeling-by-SETD2

Published in Cell, 2016

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Recommended citation: I.Y. Park, R.T. Powell, D.N. Tripathi, R. Dere, T.H. Ho, T.L. Blasius, Y.-C. Chiang, I.J. Davis, C.C. Fahey, K.E. Hacker, K.J. Verhey, M.T. Bedford, E. Jonasch, W.K. Rathmell, C.L. Walker. "Dual-Chromatin-and-Cytoskeletal-Remodeling-by-SETD2." Cell, 2016.

HNF1B-loss-exacerbates-the-development-of-chromophobe-renal-cell-carcinomas

Published in Cancer Research, 2017

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Recommended citation: M. Sun, P. Tong, W. Kong, B. Dong, Y. Huang, I.Y. Park, L. Zhou, X.-D. Liu, Z. Ding, X. Zhang, S. Bai, P. German, R. Powell, Q. Wang, X. Tong, N.M. Tannir, S.F. Matin, W.K. Rathmell, G.N. Fuller, I.E. McCutcheon, C.L. Walker, J. Wang, E. Jonasch. "HNF1B-loss-exacerbates-the-development-of-chromophobe-renal-cell-carcinomas." Cancer Research, 2017.

Radiogenomics-and-histomics-in-glioblastoma:-the-promise-of-linking-image-derived-phenotype-with-genomic-information

Published in Advances in Biology and Treatment of Glioblastoma, 2017

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Recommended citation: Michael Lehrer, Reid Powell, Souptik Barua, Donnie Kim, Shivali Narang, Arvind Rao. "Radiogenomics-and-histomics-in-glioblastoma:-the-promise-of-linking-image-derived-phenotype-with-genomic-information." Advances in Biology and Treatment of Glioblastoma, 2017.

Bacteria-to-Human-Protein-Networks-Reveal-Origins-of-Endogenous-DNA-Damage

Published in Cell, 2019

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Recommended citation: J. Xia, L.-Y. Chiu, R.B. Nehring, M.A. Bravo, Q. Mei, M. Perez, Y. Zhai, D.M. Fitzgerald, J.P. Pribis, Y. Wang, C.W. Hu, R.T. Powell, S.A. LaBonte, A. Jalali, M.L. Matadamas, A.M. Lentzsch, A.T. Szafran, M.C. Joshi, M. Richters, J.L. Gibson, R.L. Frisch, P.J. Hastings, D. Bates, C. Queitsch, S.G. Hilsenbeck, C. Coarfa, J.C. Hu, D.A. Siegele, K.L. Scott, H. Liang, M.A. Mancini, C. Herman, K.M. Miller, S.M. Rosenberg. "Bacteria-to-Human-Protein-Networks-Reveal-Origins-of-Endogenous-DNA-Damage." Cell, 2019.

High-throughput-screening-against-protein:protein-interaction-interfaces-reveals-anti-cancer-therapeutics-as-potent-modulators-of-the-voltage-gated-Na+-channel-complex

Published in Unknown Venue, 2019

{Abstract Multiple voltage-gated Na+ (Nav) channelopathies can be ascribed to subtle changes in the Nav macromolecular complex. Fibroblast growth factor 14 (FGF14) is a functionally relevant component of the Nav1.6 channel complex, a causative link to spinocerebellar ataxia 27 (SCA27) and an emerging risk factor for neuropsychiatric disorders. Yet, how this protein:channel complex is regulated in the cell is still poorly understood. To search for key cellular pathways upstream of the FGF14:Nav1.6 complex, we have developed, miniaturized and optimized an in-cell assay in 384-well plates by stably reconstituting the FGF14:Nav1.6 complex using the split-luciferase complementation assay. We then conducted a high-throughput screening (HTS) of 267 FDA-approved compounds targeting known mediators of cellular signaling. Of the 65 hits initially detected, 24 were excluded based on counter-screening and cellular toxicity. Based on target analysis, potency and dose-response relationships, 5 compounds were subsequently repurchased for validation and confirmed as hits. Among those, the tyrosine kinase inhibitor lestaurtinib was highest ranked, exhibiting submicromolar inhibition of FGF14:Nav1.6 assembly. While providing evidence for a robust in-cell HTS platform that can be adapted to search for any channelopathy-associated regulatory proteins, these results lay the potential groundwork for repurposing cancer drugs for neuropsychopharmacology.}

Recommended citation: Paul Wadsworth, Oluwarotimi Folorunso, Nghi Nguyen, Aditya Singh, Daniela D{\textquoteright}Amico, Reid Powell, David Brunell, John Allen, Clifford Stephan, Fernanda Laezza. "High-throughput-screening-against-protein:protein-interaction-interfaces-reveals-anti-cancer-therapeutics-as-potent-modulators-of-the-voltage-gated-Na+-channel-complex." Unknown Venue, 2019.
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Abstract-B20:-Unbiased-high-throughput-screenings-to-identify-combination-therapies-targeting-RAS-mutated-colorectal-cancer

Published in In the proceedings of Molecular Cancer Research, 2020

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Recommended citation: Reid Powell, Fan Fan, Mary Sobieski, David Brunell, Rui Wang, Xiangcang Ye, Clifford Stephan, Lee Ellis, Rajat Bhattacharya. "Abstract-B20:-Unbiased-high-throughput-screenings-to-identify-combination-therapies-targeting-RAS-mutated-colorectal-cancer." In the proceedings of Molecular Cancer Research, 2020.

Abstract-P3-03-08:-Identification-of-drugs-that-induce-the-death-or-suppress-the-growth-of-p53-mutant-breast-cancer

Published in In the proceedings of Cancer Research, 2020

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Recommended citation: William Tahaney, Reid Powell, Nghi Nguyen, Lakshmi Bollu, Jing Qian, Abhijit Mazumdar, Clifford Stephan, Peter Davies, Powel Brown. "Abstract-P3-03-08:-Identification-of-drugs-that-induce-the-death-or-suppress-the-growth-of-p53-mutant-breast-cancer." In the proceedings of Cancer Research, 2020.

Pharmacologic-profiling-of-patient-derived-xenograft-models-of-primary-treatment-na"ive-triple-negative-breast-cancer

Published in Unknown Venue, 2020

{Abstract Triple-negative breast cancer (TNBC) accounts for 15{\textendash}20\% of breast cancer cases in the United States, lacks targeted therapeutic options, and is associated with a 40{\textendash}80\% risk of recurrence. Thus, identifying actionable targets in treatment-na{\"\i}ve and chemoresistant TNBC is a critical unmet medical need. To address this need, we performed high-throughput drug viability screens on human tumor cells isolated from 16 patient-derived xenograft models of treatment-na{\"\i}ve primary TNBC. The models span a range of TNBC subtypes and exhibit a diverse set of putative driver mutations, thus providing a unique patient-derived, molecularly annotated pharmacologic resource that is reflective of TNBC. We identified therapeutically actionable targets including kinesin spindle protein (KSP). The KSP inhibitor targets the mitotic spindle through mechanisms independent of microtubule stability and showed efficacy in models that were resistant to microtubule inhibitors used as part of the current standard of care for TNBC. We also observed subtype selectivity of Prima-1Met, which showed higher levels of efficacy in the mesenchymal subtype. Coupling pharmacologic data with genomic and transcriptomic information, we showed that Prima-1Met activity was independent of its canonical target, mutant p53, and was better associated with glutathione metabolism, providing an alternate molecularly defined biomarker for this drug.}

Recommended citation: Reid Powell, Abena Redwood, Xuan Liu, Lei Guo, Shirong Cai, Xinhui Zhou, Yizheng Tu, Xiaomei Zhang, Yuan Qi, Yan Jiang, Gloria Echeverria, Ningping Feng, XiaoYan Ma, Virginia Giuliani, Joseph Marszalek, Timothy Heffernan, Christopher Vellano, Jason White, Clifford Stephan, Peter Davies, Stacy Moulder, W. Symmans, Jeffrey Chang, Helen Piwnica-Worms. "Pharmacologic-profiling-of-patient-derived-xenograft-models-of-primary-treatment-na"ive-triple-negative-breast-cancer." Unknown Venue, 2020.
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Therapeutically-actionable-signaling-node-to-rescue-AURKA-driven-loss-of-primary-cilia-in-VHL-deficient-cells

Published in Scientific Reports, 2021

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Recommended citation: Pratim Chowdhury, Dimuthu Perera, Reid Powell, Tia Talley, Durga Tripathi, Yong Park, Michael Mancini, Peter Davies, Clifford Stephan, Cristian Corfa, Ruhee Dere. "Therapeutically-actionable-signaling-node-to-rescue-AURKA-driven-loss-of-primary-cilia-in-VHL-deficient-cells." Scientific Reports, 2021.
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A-High-Throughput-Approach-to-Identify-Effective-Systemic-Agents-for-the-Treatment-of-Anaplastic-Thyroid-Carcinoma

Published in The Journal of Clinical Endocrinology & Metabolism, 2021

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Recommended citation: Ying Henderson, Abdallah Mohamed, Anastasios Maniakas, Yunyun Chen, Reid Powell, Shaohua Peng, Maria Cardenas, Michelle Williams, Diana Bell, Mark Zafereo, Rui Wang, Steve Scherer, David Wheeler, Maria Cabanillas, Marie-Claude Hofmann, Faye Johnson, Clifford Stephan, Vlad Sandulache, Stephen Lai. "A-High-Throughput-Approach-to-Identify-Effective-Systemic-Agents-for-the-Treatment-of-Anaplastic-Thyroid-Carcinoma." The Journal of Clinical Endocrinology & Metabolism, 2021.
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Morphological-screening-of-mesenchymal-mammary-tumor-organoids-to-identify-drugs-that-reverse-epithelial-mesenchymal-transition

Published in Nature Communications, 2021

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Recommended citation: Na Zhao, Reid Powell, Xueying Yuan, Goeun Bae, Kevin Roarty, Fabio Stossi, Martina Strempfl, Michael Toneff, Hannah Johnson, Sendurai Mani, Philip Jones, Clifford Stephan, Jeffrey Rosen. "Morphological-screening-of-mesenchymal-mammary-tumor-organoids-to-identify-drugs-that-reverse-epithelial-mesenchymal-transition." Nature Communications, 2021.
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Mammary-specific-expression-of-Trim24-establishes-a-mouse-model-of-human-metaplastic-breast-cancer

Published in Nature Communications, 2021

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Recommended citation: Vrutant Shah, Aundrietta Duncan, Shiming Jiang, Sabrina Stratton, Kendra Allton, Clinton Yam, Abhinav Jain, Patrick Krause, Yue Lu, Shirong Cai, Yizheng Tu, Xinhui Zhou, Xiaomei Zhang, Yan Jiang, Christopher Carroll, Zhijun Kang, Bin Liu, Jianjun Shen, Mihai Gagea, Sebastian Manu, Lei Huo, Michael Gilcrease, Reid Powell, Lei Guo, Clifford Stephan, Peter Davies, Jan Parker-Thornburg, Guillermina Lozano, Richard Behringer, Helen Piwnica-Worms, Jeffrey Chang, Stacy Moulder, Michelle Barton. "Mammary-specific-expression-of-Trim24-establishes-a-mouse-model-of-human-metaplastic-breast-cancer." Nature Communications, 2021.
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Rational-Combination-of-CRM1-Inhibitor-Selinexor-and-Olaparib-Shows-Synergy-in-Ovarian-Cancer-Cell-Lines-and-Mouse-Models

Published in Molecular Cancer Therapeutics, 2021

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Recommended citation: Katelyn Handley, Cristian Rodriguez-Aguayo, Shaolin Ma, Elaine Stur, Robiya Joseph, Emine Bayraktar, Santosh Dasari, Nghi Nguyen, Reid Powell, Mary Sobieski, Cristina Ivan, Mark Kim, Sujanitha Umamaheswaran, Deanna Glassman, Yunfei Wen, Paola Amero, Clifford Stephan, Robert Coleman, Yosef Landesman, Shannon Westin, Prahlad Ram, Anil Sood. "Rational-Combination-of-CRM1-Inhibitor-Selinexor-and-Olaparib-Shows-Synergy-in-Ovarian-Cancer-Cell-Lines-and-Mouse-Models." Molecular Cancer Therapeutics, 2021.
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Determining-efficacy-of-combining-the-MEK-inhibitor-trametinib-with-vincristine-identified-by-unbiased-high-throughput-screening-in-RAS-mutated-colorectal-cancer-cells

Published in Cancer Research, 2022

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Recommended citation: Susmita Ghosh, Fan Fan, Jason Roszik, Reid Powell, Yong Park, Clifford Stephan, Lee Ellis, Rajat Bhattacharya. "Determining-efficacy-of-combining-the-MEK-inhibitor-trametinib-with-vincristine-identified-by-unbiased-high-throughput-screening-in-RAS-mutated-colorectal-cancer-cells." Cancer Research, 2022.

Rb-deficient-HPV+-HNSCC-experienced-enhanced-sensitivity-to-aurora-kinase-inhibitors-by-altering-the-balance-of-MAD2-and-TRIP13-levels

Published in Cancer Research, 2022

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Recommended citation: Soma Ghosh, Tuhina Mazumdar, Wei Xu, Reid Powell, Clifford Stephan, Li Shen, Curtis Pickering, Jing Wang, Faye Johnson. "Rb-deficient-HPV+-HNSCC-experienced-enhanced-sensitivity-to-aurora-kinase-inhibitors-by-altering-the-balance-of-MAD2-and-TRIP13-levels." Cancer Research, 2022.

The-licorice-metabolite-enoxolone-attenuates-Clostridioides-difficile-pathophysiology-by-corrupting-its-metabolic-and-toxin-production-networks

Published in bioRxiv, 2022

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Recommended citation: Ravi Marreddy, Jonathan Picker, Gregory Phelps, Reid Powell, Philip Cherian, John Bowling, Clifford Stephan, Richard Lee, Julian Hurdle. "The-licorice-metabolite-enoxolone-attenuates-Clostridioides-difficile-pathophysiology-by-corrupting-its-metabolic-and-toxin-production-networks." bioRxiv, 2022.

Combined-inhibition-of-HMGCoA-reductase-and-mitochondrial-complex-I-induces-tumor-regression-of-BRAF-inhibitor-resistant-melanomas

Published in Cancer & Metabolism, 2022

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Recommended citation: Evelyn Groot, Sruthy Varghese, Lin Tan, Barbara Knighton, Mary Sobieski, Nghi Nguyen, Yong Park, Reid Powell, Philip Lorenzi, Bin Zheng, Clifford Stephan, Y. Gopal. "Combined-inhibition-of-HMGCoA-reductase-and-mitochondrial-complex-I-induces-tumor-regression-of-BRAF-inhibitor-resistant-melanomas." Cancer & Metabolism, 2022.
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Abstract-B171:-BX-795-enhances-the-efficacy-of-crizotinib-in-colorectal-cancer-cells-by-altering-the-activity-of-aurora-kinases

Published in In the proceedings of Molecular Cancer Therapeutics, 2023

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Recommended citation: Susmita Ghosh, Fan Fan, Reid Powell, Yong Park, Clifford Stephan, Jason Roszik, Lee Ellis, Rajat Bhattacharya. "Abstract-B171:-BX-795-enhances-the-efficacy-of-crizotinib-in-colorectal-cancer-cells-by-altering-the-activity-of-aurora-kinases." In the proceedings of Molecular Cancer Therapeutics, 2023.

Chemical-genetic-analysis-of-enoxolone-inhibition-of-C.-difficile-toxin-production-reveals-adenine-deaminase-and-ATP-synthase-as-anti-virulence-targets

Published in Journal of Biological Chemistry, 2024

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Recommended citation: Ravi Marreddy, Gregory Phelps, Kelly Churion, Jonathan Picker, Reid Powell, Philip Cherian, John Bowling, Clifford Stephan, Richard Lee, Julian Hurdle. "Chemical-genetic-analysis-of-enoxolone-inhibition-of-C.-difficile-toxin-production-reveals-adenine-deaminase-and-ATP-synthase-as-anti-virulence-targets." Journal of Biological Chemistry, 2024.

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