Joint Pharmacophoric Space through Geometric Features
Brief Description
Pharmacophore analysis through examination of Joint Pharmacophore Space of chemical compounds, targets, and chemical/biological properties.
Background
Despite steady and significant increases in R&D spending, an increase in the number of new drug applications and approvals has not been seen. Current target-driven approaches to drug discovery limit focus to a single target and have phenotypic effects such as toxicity and low efficacy that are discovered too late in the discovery process. As a result, current interest is shifting towards evaluating biological properties at the onset and attempting to gain a global understanding of the binding activity between compounds and targets. There have been a number of attempts to understand the relationship between drug chemical structures and target proteins, including pharmacophore based screening. A key weakness of existing pharmacophore based technologies is its ability to analyze compounds only on target-by target basis, aimed at extracting and optimizing a specific pharmacophore. Often, multiple pharmacophoric targets need to be analyzed in the search for drugs against diseases such as cancer or AIDS.
Description
Advantages
- Increased sensitivity and specificity of results
- Improved beginning investigation point for medicinal chemists
Applications
- Drug design and discovery
- Molecular classification
Patent Status
| Country | Type | Number | Dated | Case |
| United States Of America | Issued Patent | 9,218,460 | 12/22/2015 | 2011-077 |
Contact
- Pasquale S. Ferrari
- ferrari@tia.ucsb.edu
- tel: View Phone Number.
Inventors
- Ranu, Sayan
- Singh, Ambuj K.
Other Information
Keywords
indpharma, Pharma, Pharmacaphoric, Chemical Properties, Drug Applications, Drug Design, Blood Brain Barrier, Silico Prediction, Drug Discovery, Molecular Classification, Cancer, Aids, Drug
