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Computer-Aided Drug Design Modeling & Simulation Lab

Group News

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.

Kudos to all current and past lab members for your valuable contributions to this significant achievement! (September 10, 2020)

 

 

Congratulations to Justin and Jeevan for publication in Drug Metabolism and Disposition (August 12, 2020)

Congratulations Justin and Jeevan for the fine work! (paper link)

Congratulations to Jeevan and Chris for recent publication in Molecular Pharmaceutics (May 6, 2020)

Congratulations Jeevan and Chris for the awesome work! (paper link)

Congratulations to Justin for recent publication in Molecular Genetics and Metabolism (May 4, 2020)

Congratulations Justin! (paper link)

Congratulations Chris and Bahar for winning 1st places in poster presentation (Graduate Student and Professional Student categories respectively) on 2019 WSU COPPS Research Day

Chris Szlenk with Dr. Meier

Bahar with Dr. Meier

Congratulations to Chris and Ila for publication in Frontiers in Immunology (May 8, 2019)

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

Justin Chen and Ila Srivastava successfully completed their Honors research projects – Congratulations!

PharmD PY3 students Justin Chen and Ila Srivastava presented their research projects on PharmD Honors Research Day (April 19, 2019).

Ila and Justin Honors Research Day
Congratulations Jeevan for winning the ASPET PostDoctoral Travel Award 2019

Jeevan won the ASPET 2019 Postdoctoral Travel Award to present his results from the following projects:

  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’-Hydroxylation of Midazolam by Berberine: An In Silico Modeling and Simulation Study. American Society for Pharmacology and Experimental Therapeutics Annual Meeting at Experimental Biology, Orlando, FL, April 6-9, 2019
  2. GC, Jeevan; Szlenk, Christopher; Gibson, K. Michael; Roullet, Jean-Baptiste; Natesan, Senthil. Membrane-Facilitated Allosteric Modulation of GABAA Receptor by Farnesol: An In Silico Modeling and Simulation Study. American Society for Pharmacology and Experimental Therapeutics Annual Meeting at Experimental Biology, Orlando, FL, April 6-9, 2019
Jeevan at ASPET 2019
Congratulations to Chris for presenting his research at the ASPET 2019 National Meeting

Chris Szlenk presented the following work at his first international conference in Orlando, FL.

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

Chris at ASPET 2019

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

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)

Integrin activation by 25-hydroxycholesterol published in Nature Communications (April 1, 2019)

Our collaborative work with Drs. Bose 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)

 

Dr. Pavan Payghan joins our lab as a NIH-funded postdoctoral research associate on Feb 1, 2019 – Welcome Pavan!

 

WSU College of Pharmacy Annual Research Day – Aug 11, 2017

The Modeling & Simulation Lab members actively participated in the College’s Annual Research Day and won various awards.

Dr. Jeevan GC has won second place in the Oral Presentation category. Congratulations Jeevan!

Ila Srivastava has won second place in the Professional Students Poster Presentation category. Congratulations!

 

Justin Chen presented his “Pharmacophore-Based Virtual Screening of GHB receptor Ligands” project. Great job Justin!

 

Dr. Jeevan GC also presented a poster on “Outside-in Activation of Integrins by Oxysterols”. Way to go!