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From DrugPedia: A Wikipedia for Drug discovery

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• Drug Discovery
  ... ocess of identifying the new chemical compound that behaves as a drug like molecule.But this is a very slow process and may take around 7-8 years and large am ... ... process is to reduce the cost and time involved in discovering a new drug molecule. For example
  23 KB (3467 words) - 03:48, 1 September 2008
• Smile Format
  SMILE format is the method of representing the molecule and reaction in such a way that is easy to understand and human readable.
  627 B (92 words) - 04:00, 31 July 2008
• Target Identification
  ... molecule where a drug molecule can bind.eg. enzyme etc.Generallythe target molecule is can be two types. '''Established Target''' molecule are those for which there is good scientific understanding and have histor ...
  3 KB (452 words) - 06:49, 11 August 2008
• Phase II
  #Side-effects of drug molecule and risk associated with short term uses.
  587 B (93 words) - 07:54, 31 July 2008
• Phase I
  ... (phase I) on humans is to help evaluate and understand the behavior of the molecule or compound on healthy subjects.
  2 KB (244 words) - 07:36, 31 July 2008
• Phase III
  ... erm toxicity.During this stage, the scientists are able to select the lead molecule that possesses the characteristics required to become a drug.
  360 B (52 words) - 08:51, 31 July 2008
• Screening
  Screening is the process of identifying the molecule that can act as drug molecule.This process depends upon the availability and chemical synthesis of comp ...
  311 B (44 words) - 06:23, 18 August 2008
• Virtual screening
  Virtual Screening is the process of screen large no. of molecule using [[in-silico]] methods. It involves the use of high-performance compu ... ... id or conformationally flexible model) into a model of the receptor/target molecule. Generally the extents of the expected binding site are defined to limit t ...
  5 KB (724 words) - 06:29, 11 August 2008
• Pharmacophore
  ... ty. A database of diverse chemical compounds can then be searched for more molecules which share the same features located a similar distance apart from each ... Typical pharmacophore features are for where a molecule is hydrophobic, aromatic, a hydrogen bond acceptor, a hydrogen bond donor, ...
  1 KB (183 words) - 05:28, 1 September 2008
• Docking
  ... of target molecule and having minimum energy may be act as potential drug molecule. ... hing algorithm would go through all possible binding modes between the two molecules.
  4 KB (593 words) - 04:42, 17 September 2008
• Ligand
  Ligands the chemical compound that bind specifically to a target molecule and thus leads to activate or inhibit the particular process.
  135 B (21 words) - 04:38, 4 August 2008
• High Throughput Screening
  ... l compounds against the particualr target molecule that may be act as drug molecule.The goal of HTS is to accelerate drug discovery by screening large librari ...
  471 B (75 words) - 05:54, 21 August 2008
• Combinatorial Chemistry
  ... properties-continues to branch out rapidly. Compared with conventional one-molecule-at-a-time discovery strategies, many researchers see combinatorial chemist ... ... ial fashion can quickly lead to large numbers of molecules. For example, a molecule with three points of diversity (R1, R2, and R3) can generate N_{R_1} \time ...
  5 KB (795 words) - 05:10, 9 September 2008
• Molecular Mechanics
  ... its conformation. It is an empirical method of calculating the dynamics of molecules, in which bonds between atoms are represented by springs obeying Hooke's ... *Relative energies between conformers or between different molecules
  8 KB (1146 words) - 08:33, 26 August 2008
• Target Validation
  '''Target validation''' involves proving that DNA, RNA or a protein molecule is directly involved in a disease process and can be a suitable target for ...
  865 B (117 words) - 17:29, 4 August 2008
• Homology Modeling
  ... as Comparative modeling.This process in based on the selection of templete molecule whose 3D structure is known. #Selection of Templete molecule
  9 KB (1291 words) - 11:19, 19 August 2008
• 3D Pharmacophore
  ... own, it may be worthwhile considering several pharmacophores and selecting molecules to test to reduce the number of possible alternatives. ... evolved over the years and remains the definitive source of small organic molecule crystal structures. The software includes capabilities to search by geomet ...
  2 KB (295 words) - 07:10, 8 September 2008
• Drug targets
  ... process are called substrates, and the enzyme converts them into different molecules, the products. Almost all processes in a biological cell need enzymes in ... ... es. Inhibitors are molecules that decrease enzyme activity; activators are molecules that increase activity. Many drugs and poisons are enzyme inhibitors. Act ...
  7 KB (1041 words) - 05:38, 17 September 2008
• Entrez
  *[[PubChem]] Compound: unique small molecule chemical structures
  5 KB (692 words) - 04:33, 17 August 2008
• Chemical file format
  ... two-dimensional structure diagram and a smiles string for each compound. eMolecules supports fast substructure searching based on parts of the molecular stru ... ... se these files are sometimes used to describe macromolecular assemblies or molecules represented in [[Molecular mechanics#Environment and solvation|explicit s ...
  14 KB (2238 words) - 09:36, 17 September 2008

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