California Institute of Technology

University of California

The United States Government As Represented by the Department of Veterans Affairs

Cedars-sinai Medical Center

Ravinder Abrol

William A Goddard, Iii

Stephen Pandol

Mark Menna

Adam R Griffith

Victor Wai Tak Kam

Stephen J Pandol

Hung Pham

Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro and in vivo from cells of the GI tract of an individual.

Methods and systems for modulating hormones and related methods, agents and compositions

A method for practical prediction of the three-dimensional structure of &#x3b1;-helical membrane proteins (HMPs) is described. The method allows one to predict the binding site and structure for strongly bound ligands. The method combines a protocol of computational methods enabling a complete ensemble of packings to be sampled and systematically reducing this ensemble to progressively more accurate structures until at the end there remain a few that might be functionally relevant and likely to play a role in all binding and activation processes. This method is well suited to automatic operation making it practical to obtain, for example, the ensemble of important structures for all human GPCRs. With this ensemble of all active GPCR structures in the human body, an infimum method is presented to maximize efficacy toward the selected target while minimizing binding to all other GPCRs to eliminate toxicity arising from cross-reacting with other GPCRs (a most common source of drug failure). This infimum method is broadly applicable to any set of proteins where a ligand is desired to be able to modulate the function of one protein while not affecting the function of other proteins.

Methods for predicting three-dimensional structures for alpha helical membrane proteins and their use in design of selective ligands

Provided herein are bitter taste receptor ligands, related agents, combinations, compositions, methods and systems for modulating release of a metabolic hormone in vitro or in vivo from cells of the GI tract of an individual.

Growing community of inventors

Arcadia, CA, United States of America

Ravinder Abrol