{"id":90,"date":"2017-09-15T13:48:34","date_gmt":"2017-09-15T20:48:34","guid":{"rendered":"http:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/?page_id=90"},"modified":"2024-06-29T12:20:57","modified_gmt":"2024-06-29T19:20:57","slug":"group-news","status":"publish","type":"page","link":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/group-news\/","title":{"rendered":"Group News"},"content":{"rendered":"
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Group News<\/h2>\n<\/header>\n

Congratulations, Peter, Jeevan, Charles, and Ayobami!<\/h6>\n

Our recent work, ” Application of Generative Artificial Intelligence in Predicting Membrane Partitioning of Drugs: Combining Denoising Diffusion Probabilistic Models and MD Simulations Reduces the Computational Cost to One-Third,” has been published in the Journal of Chemical Theory and Computation (Article Link). Excellent teamwork\u00a0led by Peter!<\/p>\n

Congratulations, Charles!<\/h6>\n

In collaboration with Dr. Prasad’s lab, our work titled “Promiscuity and quantitative distribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches<\/a>” has been published in the American Chemical Society’s Journal of Chemical Information and Modeling (Jan 2024)<\/p>\n

Congratulations, Charles!<\/h6>\n

In collaboration with Dr. Bose’s lab, our work titled “Human beta defensin-3 mediated activation of \u03b2-catenin during human respiratory syncytial virus infection: interaction of HBD3 with LDL receptor-related protein 5″<\/a> has been published in Frontiers in Microbiology (Jun 22, 2023).<\/p>\n

Congratulations, Jeevan, Justin, Charles, and Peter!<\/h6>\n

In collaboration with Dr. Bose’s lab, our work titled ” Molecular basis for the recognition of 24-(S)-hydroxycholesterol by integrin aVb3<\/a> ” has been published in Scientific Reports (Jun 6, 2023).<\/p>\n

Congratulations, Jeevan, Chris, Ayobami, and Peter!<\/h6>\n

In collaboration with Dr. Roullet’s lab, our work titled ” Allosteric modulation of\u00a0<\/span>\u03b11\u03b23\u03b32 GABAA receptors by farnesol through the neurosteroid site<\/a>s”\u00a0has been published in the Biophysical Journal\u00a0(Jan 31, 2023).<\/p>\n

Congratulations, Peter, for the awesome work!<\/h6>\n

Congratulations to Peter for his recent publication in the Journal of Medicinal Chemistry titled ” Membrane Lipids Are an Integral Part of Transmembrane Allosteric Sites in GPCRs: A Case Study of Cannabinoid CB1 Receptor Bound to a Negative Allosteric Modulator, ORG27569, and Analogs”<\/a>\u00a0<\/span>(Sep 6, 2022).<\/p>\n

Dr. Natesan has been promoted to the associate professor position with tenure, effective July 2022.<\/h6>\n

Dr. Natesan joined WSU in 2016 as an assistant professor and established the Modeling and Simulation Lab. His research is being supported by multiple grants from NIH (R41, R15, and R01), Washington Research Foundation (WRF), and industry. Congratulations to all the past and present lab members! (May 17, 2022)<\/p>\n

Congratulations Dr. Szlenk!<\/h6>\n

Christopher Szlenk successfully defended his Ph.D. thesis titled, “Role of the membrane lipids in the molecular recognition of GPCRs.” Chris will join Schrodinger, New York, as a senior scientist. Congratulations and best wishes for your future endeavors! (Mar 8, 2022)<\/p>\n

Congratulations to Peter for presenting his research at the 66th Biophysical Society Annual Meeting, on Feb 21, 2022.<\/h6>\n

Peter Obi presented his work titled, “Cell Membrane Lipids are Integral Components of the Cannabinoid CB1 Receptor’s Transmembrane Allosteric Site”, at the Biophysical Society Annual Meeting in San Francisco, CA.<\/p>\n

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Peter Obi (Feb 21, 2022, BPS Annual Meeting, San Francisco, CA)<\/figcaption><\/figure>\n
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Congratulations to Adian Talib for winning 1st place in a poster presentation (Professional Student category) on the 2021 WSU COPPS Annual Research Day (August 13, 2021). Thanks, Peter, for the excellent mentorship to Adian!<\/h6>\n

Adian presented her work titled, “Molecular basis for the access and binding of vilanterol, a structural analog of salmeterol, to the \u03b22-adrenergic receptors.”<\/p>\n

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Peter presented his ongoing work titled, “Allosteric modulation of cannabinoid CB1 receptors through transmembrane binding sites as a potential therapeutic intervention for pain and inflammation.”<\/p>\n

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Congratulations to Chris and Jeevan for the recent publication in Molecular Pharmacology (Aug 1, 2021)<\/h6>\n

Congratulations Chris and Jeevan for the awesome work! (paper link<\/a>)<\/p>\n

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The Modeling & Simulation Lab has been awarded the Phase 1 Technology Commercialization Grant by the Washington Research Foundation for the project, “Allosteric modulators of mu-opioid receptors as potential therapeutics in pain.”<\/h6>\n

Congratulations! (July 15, 2021)<\/p>\n

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Congratulations to the Modeling & Simulation Lab on the award of the NIH\/NIGMS R01 grant titled “MOLECULAR BIOPHYSICS OF INTEGRIN ACTIVATION BY OXYSTEROLS AND RATIONAL DISCOVERY OF SMALL-MOLECULE MODULATORS.<\/a>“<\/h6>\n

Kudos to all current and past lab members for your valuable contributions to this significant achievement! (September 10, 2020)<\/p>\n

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Congratulations to Justin and Jeevan for publication in Drug Metabolism and Disposition (August 12, 2020)<\/h6>\n

Congratulations Justin and Jeevan for the fine work! (paper link<\/a>)<\/p>\n

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Congratulations to Jeevan and Chris for recent publication in Molecular Pharmaceutics (May 6, 2020)<\/h6>\n

Congratulations Jeevan and Chris for the awesome work! (paper link<\/a>)<\/p>\n

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Congratulations to Justin for recent publication in Molecular Genetics and Metabolism (May 4, 2020)<\/h6>\n

Congratulations Justin! (paper link<\/a>)<\/p>\n

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Congratulations Chris and Bahar for winning 1st place in poster presentations (Graduate Student and Professional Student categories respectively) on 2019 WSU COPPS Research Day<\/h6>\n

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Chris Szlenk with Dr. Meier<\/p>\n

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Bahar with Dr. Meier<\/p>\n

Congratulations to Chris and Ila for publication in Frontiers in Immunology (May 8, 2019)<\/h6>\n

Our collaborative work with Dr. Salah Ahmed<\/a> on cannabinoid receptor 2, titled “Cannabinoid Receptor 2 Agonist JWH-015 Inhibits Interleukin-1\u03b2-Induced Inflammation in Rheumatoid Arthritis Synovial Fibroblasts and in Adjuvant Induced Arthritis Rat via Glucocorticoid Receptor”\u00a0was recently published in Frontiers in Immunology: Autoimmune and Autoinflammatory Disorders<\/em><\/strong>. Congratulations Chris and Ila for the terrific work! (paper link<\/a>)<\/p>\n

Justin Chen and\u00a0Ila Srivastava successfully completed their Honors research projects – Congratulations!<\/h6>\n

PharmD PY3 students Justin Chen and Ila Srivastava presented their research projects on PharmD Honors Research Day (April 19, 2019).<\/p>\n

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Ila and Justin Honors Research Day<\/figcaption><\/figure>\n
Congratulations Jeevan for winning the ASPET PostDoctoral Travel Award 2019<\/h6>\n

Jeevan won the ASPET 2019 Postdoctoral Travel Award to present his results from the following projects:<\/p>\n

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  1. GC, Jeevan; McDonald, Matthew G.; Tian, Dan-Dan; Thummel, Kenneth E.; Rettie, Allan E.; Paine, Mary F.; Natesan, Senthil. Heterotropic Cooperativity for CYP3A4-Mediated 1\u2019-Hydroxylation of Midazolam by Berberine: An In Silico<\/em> Modeling and Simulation Study. American Society for Pharmacology and Experimental Therapeutics Annual Meeting at Experimental Biology<\/em>, Orlando, FL, April 6-9, 2019<\/li>\n
  2. GC, Jeevan; Szlenk, Christopher; Gibson, K. Michael; Roullet, Jean-Baptiste; Natesan, Senthil. Membrane-Facilitated Allosteric Modulation of GABAA<\/sub> Receptor by Farnesol: An In Silico<\/em> Modeling and Simulation Study. American Society for Pharmacology and Experimental Therapeutics Annual Meeting at Experimental Biology<\/em>, Orlando, FL, April 6-9, 2019<\/li>\n<\/ol>\n
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    Jeevan at ASPET 2019<\/figcaption><\/figure>\n
    Congratulations to Chris for presenting his research at the ASPET 2019 National Meeting<\/h6>\n

    Chris Szlenk presented the following work at his first international conference in Orlando, FL.<\/p>\n

    Szlenk, Christopher; GC, Jeevan; Natesan, Senthil<\/strong>. Molecular Dynamics Simulations Reveal a Possible Membrane-Involved Microkinetic Mechanism for Long-Lasting Action of Salmeterol, a b2<\/sub>-Adrenergic Receptor Agonist. American Society for Pharmacology and Experimental Therapeutics Annual Meeting at Experimental Biology<\/em>, Orlando, FL, April 6-9, 2019<\/strong><\/p>\n

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    Chris at ASPET 2019<\/figcaption><\/figure>\n

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    Our comprehensive review on the critical role of cell membrane in ligand binding to GPCRs is published in Molecular Pharmacology today (April 8, 2019)<\/h6>\n

    This comprehensive review summarizes the recent structural, biophysical, and computational studies providing convincing evidence for membrane-facilitated ligand access and binding to GPCRs, especially to transmembrane allosteric binding sites. Congratulations to Chris and Jeevan! (paper link<\/a>)<\/p>\n

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    Integrin activation by 25-hydroxycholesterol published in Nature Communications (April 1, 2019)<\/h6>\n

    Our collaborative work with Drs. Bose<\/a> and Jones on outside-in activation of integrins by 25-hydroxycholesterol resulting in proinflammatory response is published in Nature Communications today. Congratulations Jeevan for a terrific work! (paper link<\/a>)<\/p>\n

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    Dr. Pavan Payghan joins our lab as a NIH-funded postdoctoral research associate on Feb 1, 2019 – Welcome Pavan!<\/h6>\n

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    WSU College of Pharmacy Annual Research Day – Aug 11, 2017<\/h6>\n

    The Modeling & Simulation Lab members actively participated in the College’s Annual Research Day and won various awards.<\/p>\n

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    Dr. Jeevan GC has won second place in the Oral Presentation category. Congratulations Jeevan!<\/p>\n

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    Ila Srivastava has won second place in the Professional Students Poster Presentation category. Congratulations!<\/p>\n

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    Justin Chen presented his “Pharmacophore-Based Virtual Screening of GHB receptor Ligands” project. Great job Justin!<\/p>\n

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    Dr. Jeevan GC also presented a poster on “Outside-in Activation of Integrins by Oxysterols”. Way to go!<\/p>\n

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    Group News<\/h2>\n

    Congratulations, Peter, Jeevan, Charles, and Ayobami!<\/p>\n

    Our recent work, ” Application of Generative Artificial Intelligence in Predicting Membrane Partitioning of Drugs: Combining Denoising Diffusion Probabilistic Models and MD Simulations Reduces the Computational Cost to One-Third,” has been published in the Journal of Chemical Theory and Computation (Article Link). Excellent teamwork\u00a0led by Peter!<\/p>\n

    Congratulations, Charles!<\/p>\n

    In collaboration with Dr. Prasad’s lab, our work titled “Promiscuity and quantitative distribution of UGT2B17 in drug and steroid metabolism determined by experimental and computational approaches<\/a>” has been published in the American Chemical Society’s Journal of Chemical Information and Modeling (Jan 2024)<\/p>\n

    Congratulations, Charles!<\/p>\n

    In … » More …<\/span><\/a><\/p>\n","protected":false},"author":4718,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"template-builder.php","meta":[],"wsuwp_university_location":[],"wsuwp_university_org":[],"_links":{"self":[{"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/pages\/90"}],"collection":[{"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/users\/4718"}],"replies":[{"embeddable":true,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/comments?post=90"}],"version-history":[{"count":51,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/pages\/90\/revisions"}],"predecessor-version":[{"id":623,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/pages\/90\/revisions\/623"}],"wp:attachment":[{"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/media?parent=90"}],"wp:term":[{"taxonomy":"wsuwp_university_location","embeddable":true,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/wsuwp_university_location?post=90"},{"taxonomy":"wsuwp_university_org","embeddable":true,"href":"https:\/\/labs.wsu.edu\/modeling-and-simulation-lab\/wp-json\/wp\/v2\/wsuwp_university_org?post=90"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}