Computer aided drug design (CADD, or in silico screening) has become a powerful technique in the process of drug development and drug discovery, to facilitate the drug design process thereby minimizing time and costs. The general process of in silico drug discovery includes identification of therapeutic target, cause and mechanisms revealing, generation of small compounds library, docking and scoring, pharmacokinetic studies, and lead compound generation. There are two common types of CADD approaches, structure based drug design (SBDD) and ligand based drug design (LBDD). MedAI has set up an expert team of structure biologists, biophysicists and computational scientists for discovery of new chemical entities.
CADD methods are mathematical tools to manipulate and quantify the properties of potential drug candidates as implemented in a number of programs.
Molegro Virtual Docker
|ChemBridge||High quality screening compounds and libraries|
|ZINC||Commercially available chemical compounds|
|Protein Data Bank (PDB)||3D structure of the protein, RNA or other macromolecule|
|Pub Med||Searching matter related to medical and life sciences|
|PDB||Protein data bank|
|PubChem||Structure and physiochemical properties of chemical compound|
MedAI's computer-aided drug discovery (CADD) platform apply computational software and chemistry simulation techniques to help identify novel hits or leads against selected therapeutic targets, as well as to support medicinal chemistry lead optimization programs. Our CADD platform help researchers and pharmaceutical companies in minimizing the synthetic and biological testing efforts by focusing only on the most promising compounds.
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