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1.3 Various Softwares Used in the Steps of Drug Designing

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Bioinformatics tools provides information about potential targets that include nucleotide and protein sequencing information, protein and gene expression data, prediction of the function, information of the pathway, mapping information, disease associations, information of the structure, and taxonomic distribution, among others. This helps in reducing time, effort, and money in characterization of different targets. The field of bioinformatics has thus become a major component of the drug discovery pipeline, playing a vital role for validating drug targets. Table 1.4 illustrates some of the most commonly used software for drug design, along with their descriptions.

Table 1.4 The list of softwares used in the steps of drug designing is represented in tabular form.

Sr. no. Software name Description
1 DDDPlus It helps in dissolution and disintegration study.
2 GastroPlus Correlation for various formulations in in vivo and in vitro.
3 MapCheck It helps in comparing dose or fluency measurement.
4 AutoDock They help in evaluating the ligand-protein interaction.
5 Schrodinger They perform ligand-receptor docking.
6 GOLD They perform protein-ligand docking.
7 BioSuite It performs genome analyzing and sequence analyzing.
8 Maestro It involves molecular modeling analysis.
9 ArgusLab They perform Molecular docking calculations and provides molecular modeling package.
10 GRAMM Protein-protein docking and protein-ligand docking.
11 SYBYL-X Suite It involves molecular modeling and ligand-based designing.
12 Sanjeevini It can predict protein-ligand binding affinity.
13 PASS It can create and analysis of SAR models.
14 AMIDE (A Medical Image Data Examiner) They provide medical image analysis in molecular imaging.
15 Discovery Studio® Visualizer It helps in viewing and analyzing protein data.
16 Imaging Software SCGE-Pro They perform cytogenetic and DNA damage analysis.
17 Xenogen Living Image Software It involves in vivo imaging display and analysis.
18 GeneSpring It can identify variation across set of sample and for correction method in samples.
19 QSARPro It involves protein-protein interaction study.
20 REST 2009 Software They perform analysis of gene expression data.
21 EthoWatcher It performs behavior analysis.
22 MARS (Multimodal Animal Rotation System) It can perform animal activity tracking, enzyme activity, and nanoparticle tracking and delivery study.
Computation in BioInformatics

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