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Computer Aided Drug Designing (CADD) represents more recent applications of computers as tools in the new drug discovery process. It must be emphasized that computers cannot be substituted for the whole drug discovery process. However, at the initial stage of randomly picking drug like molecules and conducting experiments in the lab to find their bio-activity is very expensive and time consuming. This step can be replaced by CADD. Major steps of CADD are detection of the molecular base of the disease, finding the drug lead, molecular docking, refinement of the drug lead. One of the well known molecular data base available is protein databank.
4 This database contains three dimensional structures of all known proteins and peptides which can be accessed via internet.
There are several molecular mechanics parameter development methods for proteins and other organic compounds are available.It is expected to apply these methods in the development of molecular mechanics parameters for the compounds isolated and identified from plants of Sri Lanka.
List Of Chemical Compounds
