Challenges and Opportunities in CADD

The drug discovery process may be a very complex and includes an interdisciplinary effort for designing effective and commercially feasible drug. In pharmaceutical, medicinal also as in other scientific research; the computer plays a really important role, even in development of latest compound in go after better therapeutic agents. Combination of rational drug design and in discovery of novel therapeutic agents.

For this purpose Computer Aided Drug Design (CADD) center works with collaboration between structure biologists, biophysicists and computational scientists for discovery of latest chemical entities. CADD and bioinformatics tools provide benefits like cost saving, time to market, in-sight knowledge of drug receptor interactions, speed up drug discovery and development. The development and discovery of any drug takes a few years which begins with scientific studies like determination of disease, determination of specific target receptor and determination of active compound from the mass of compounds, etc.
Computational power by taking alongside advanced analytical techniques like X-ray crystallography, NMR, etc. have improved application of CADD within the field of pharmaceutical industries like numerous of approved drugs that credited their discovery in large part to the tools of CADD were reported, such as: angiotensin-converting enzyme (ACE) inhibitor captopril for the treatment of hypertension, Carbonic anhydrase inhibitor dorzolamide for the treatment of cystoid macular edema, renin inhibitor aliskiren, which is employed for essential hypertension, Human immunodeficiency virus (HIV) protease inhibitors Saquinavir, Ritonavir and Indinavir for the treatment of HIV.