Dynamic Review On Various Approaches In Drug Discovery And Development

Abstract

Development of the new drugs generally starts with target selection followed by the identification, confirmation, lead optimization. The identification is an early stage in the whole drug discovery process. Virtual screening methods are becoming important in the drug discovery process. Random screening and rational design conventionally have shown a notable development in the drug discovery process leading to the recognition of ligands.

The Selected method of a short background precedes an assessment of the method with respect to the needs of drug discovery, and in particular work from China is highlighted. The selection or the design of new lead compounds and their modification to obtain better affinities, as well as pharmacokinetic and pharmacodynamic properties. Among the different tools available, a particular emphasis is placed on molecular docking, virtual high-throughput screening & fragment-based ligand design. The illustrate some of the in-silico methods for pharmacology that are used in drug discovery.

Initial evaluation of current drug candidates from various reports using systemic in silico drug screening based on structures of viral proteins and human ACE2 receptor. The homology modelling methodology allows the prediction of the 3D structure of a protein from its amino acid sequence.

The IC50 values of compounds 2a, a diterpene bearing polycyclic skeleton, and 3a, named Daphne one with chain scaffold, are as low as 1.29 and 1.79μM, respectively. Compared to the control compound guggulsterone (IC50 = 6.47μM), compounds 2a and 3a displayed 5- and 3-fold higher antagonistic activities against FXR, respectively.

CADD used to improve the drug development process. In the past discovery of new drugs was often conducted through the empirical observation of the effect of natural products in known diseases. The drug screening can also based upon the viral proteins and human AEC2 receptors