Taking advantages of its state-of-the-art techniques and soft tools, Profacgen provides pharmacophore modeling services from a basic concept to a well-established CADD pipeline with applications including virtual screening, ADME-tox prediction, lead optimization, drug target identification and so on.
Pharmacophore approaches are a successful subfield of computer-aided drug design (CADD) and have become one of the main tools for hit identification, lead optimization and rational design of new drugs. Pharmacophore models are a collection of common spatial and electronic features that are necessary to ensure optimal molecular interactions with specific biological targets and trigger (or block) their biological responses. By identifying the basic properties of molecular recognition, it can be used to represent and characterize molecules at the 2D or 3D schematic level.
To obtain an accurate pharmacophore model, the correct 3D structure of the compound must first be used. Therefore, atomic valence, bond level, protonation state, tautomerism and stereoisomerism must be carefully examined. In addition another prerequisite to obtain an accurate pharmacophore model is that the compounds used to build the model have similar binding modes.
Depending on the situation and the type of experiment, a variety of strategies can be employed to construct pharmacophore models in a ligand-based or structure-based manner.
With 2D or 3D pharmacophore model building, pharmacophore-based virtual screening with high performance computing, advanced machine learning algorithms with pharmacophore fingerprints of target ligand-binding pockets and modern ligand alignment algorithms such as stochastic proximity embedding, atomic property fields and fuzzy pattern recognition, Profacgen is surely to get customers’ needs met. And services can be customized according to specific requirements.
To get a whole view of the pharmacophore modeling services at Profacgen, please visit https://www.profacgen.com/pharmacophore-modeling.htm.
About Profacgen
Profacgen provides process development and cGMP manufacturing services for biological active ingredients. We have ready access to state-of-the-art biopharmaceutical product development and manufacturing facilities and our staff scientists have demonstrable expertise in all aspects of biopharmaceutical manufacturing, from facility design and operation to the ability to provide best advice relating to product development.