Conférence W. H. BROOKS, MBA, PhD PDF Imprimer Envoyer
Mardi, 15 Octobre 2013 10:57
Conférence W. H. BROOKS, MBA, PhD

Virual Screening and Peptidomimetics in Drug Discovery : Targeting Calcium Flux

Chemistry Department,
College of Arts ans Sciences
University of South Florida
Tampa, Florida
USA

Vendredi 18 octobre 2013
12h45/13h45

Amphi 3 - Faculté de Médecine, 22 av. Camille Desmoulins - Brest

Virtual Screening and Peptidomimetics in Drug Discovery: Targeting Calcium Flux

Calcium ions have important roles in cellular processes such as enzyme activation, protein folding, and cell mobility. Cells maintain low levels of calcium ions in their cytosol to control these processes but higher levels of calcium are stored in the endoplasmic reticulum (ER) and mitochondria. Stored calcium can be released into the cytosol when needed but stored calcium must then be replenished by store operated calcium entry (SOCE) for future events. In SOCE, calcium release activated calcium (CRAC) channels are formed in the cell membrane, which allow extracellular calcium ions to enter the cell. Calcium ions are then pumped back into the ER to replenish the stored calcium thereby completing the changes in calcium levels, referred to as calcium flux.

Stromal Interacting Molecule 1 (STIM1) is a key protein in SOCE and CRAC channel formation. Targeting the protein-protein interactions of STIM1 is a promising therapeutic approach to control overactive lymphocytes in autoimmune diseases since dysregulation of calcium signaling appears to be involved.

A collaborative drug discovery project targeting STIM1 has begun between the Université de Bretagne Occidentale (UBO) and the University of South Florida (USF). The early stages of drug candidate identification using computational chemistry techniques, such as virtual screening, along with the use of peptidomimetics will be discussed in relation to the overall project.

 
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