- Endocannabinoid binding to the cannabinoid receptors: what is known and what remains unknown.
- A computational study of the binding of 3-(arylidene) anabaseines to two major brain nicotinic acetylcholine receptors and to the acetylcholine binding protein.
- Computational Methodologies for Compound Database Searching that Utilize Experimental Protein-Ligand Interaction Information.
- A computational study on cannabinoid receptors and potent bioactive cannabinoid ligands: homology modeling, docking, de novo drug design and molecular dynamics analysis.
- Computational analysis of the binding ability of heterocyclic and conformationally constrained epibatidine analogs in the neuronal nicotinic acetylcholine receptor.
Improving drug development through innovation
Recent News:
- Pharmatrope Sponsors CHI's 10th anniversary meeting for Structure Based Drug Design, Boston MA June 23-25. Presenting "Fast Docking-Based Free Energy Calculation Applied to Understanding Ligand Efficiency"
Pharmatrope Corporate Information
Pharmatrope is based on a proprietary suite of computational chemistry software designed to maximize the success and efficiency of Drug Discovery. The Titanium software is a fragment-based method to relate chemical structures to human clinical adverse events. Our Iron software provides a system for identifying high potency protein ligands that is provides equal or greater accuracy than other commercially availble systems but with signifiant increases in speed and ease of use.
Our purpose is to help our clients maximize productivity in one of the world’s most complex tasks, the optimization of drug leads. The complexity of Lead Optimization derives from three highly interrelated factors: optimization of activity in vitro, optimization of activity in vivo, and elimination of compounds with high potential for toxicity. The Pharmatrope software system addresses the simple question at the core of each of these areas, “What do I do next?”
The principals at Pharmatrope represent 50 years of deep experience both in the laboratory and in software engineering, transnationally in large pharmaceutical as well as small biotechnology environments. This experience is applied to the design and application of a growing suite of software addressing core outstanding needs in drug design
