5 Preface
7 Index
List of Illustrations
1 Chapter 1Figure 1.1 Flowchart of in silico approaches in drug designing.
2 Chapter 2Figure 2.1 High-throughput data used in bioinformatics.Figure 2.2 Integrated OMICS in drug discovery.Figure 2.3 Role of integrated omics in clinical biology.Figure 2.4 Screening methods in drug discovery.Figure 2.5 Chemoinformatic in drug discovery.
3 Chapter 3Figure 3.1 Schematic demonstration of a computer-aided drug discovery.Figure 3.2 Schematic presentation of structure-based drug design.Figure 3.3 Schematic presentation of ligand-based drug design.Figure 3.4 A schematic presentation of protein-ligand interaction visualization ...
4 Chapter 4Figure 4.1 Data mining techniques.Figure 4.2 Application of statistics in data mining.Figure 4.3 Data collection techniques.Figure 4.4 Types of clustering methods.Figure 4.5 Type of association rules.Figure 4.6 Classification technique.Figure 4.7 Importance of DNA sequence data analysis.Figure 4.8 Disadvantages of next-generation sequencing data analysis.
5 Chapter 5Figure 5.1 Approaches for virtual screening.Figure 5.2 Screening strategies.Figure 5.3 Structure-based virtual screening workflow.Figure 5.4 Road map for high-throughput screening.Figure 5.5 Softwares for removing garbage from the collection.Figure 5.6 Workflow of virtual screening process.Figure 5.7 Software packages for library design.Figure 5.8 Binding sites detection programs [38, 41–43].Figure 5.9 Sampling algorithms for molecular docking.Figure 5.10 Advantages of virtual screening process over HTS.
6 Chapter 6Figure 6.1 Screening strategies for the targets for the drug discovery process.Figure 6.2 Overview on drug discovery process.Figure 6.3 Platform-based drug development process.Figure 6.4 Pathways for the development of novel biotherapeutics.Figure 6.5 Bifurcation of CADD.Figure 6.6 Properties of a promising drug target [48].Figure 6.7 Target validation steps.Figure 6.8 Arms of high-throughput methods (HTM).Figure 6.9 HTM tools for toxicological evaluation.
7 Chapter 7Figure 7.1 Bioinformatics use in six steps [23, 24].Figure 7.2 Bioinformatics applications in different areas [34].
8 Chapter 8Figure 8.1 Image analysis of chips. To check the integrity of microarray chips, ...Figure 8.2 (a to c) Boxplot (a), Density histogram (b), and MA plot (c). These p...Figure 8.3 Boxplots of array data after normalization.Figure 8.4 MA plots to compare the normalization method. Before normalization (a...Figure 8.5 Result showing log fold change in gene expression along with p-value.Figure 8.6 Volcano plot of the log fold change in gene expression. The scattered...
9 Chapter 9Figure 9.1 Typical example of the correlation between Artificial Intelligence, M...
10 Chapter 10Figure 10.1 Flowchart showing a remarkable brief history of genetics from 1865 t...Figure 10.2 Showing the structure of chromosome at molecular level [231].Figure 10.3 Different types of RNA [232].Figure 10.4 Structure of DNA and RNA [234].Figure 10.5 Sizes (bp) vs. chromosome numbers (2n) of various taxa plant genomes...Figure 10.6 Sample of ITS phylogeny. The cladogaram of trees of the legume. BioE...Figure 10.7 Schematic description of the preparation of the small RNA cDNA libra...Figure 10.8 General overview of bioinformatic analysis pipeline [237].Figure 10.9 Overview of gene sequencing.
11 Chapter 11Figure 11.1 Role of bioinformatics in cancer detection.Figure 11.2 Pipeline analysis.Figure 11.3 Different bioinformatics-based approaches.Figure 11.4 Steps involved in SLAMS.Figure 11.5 Steps involved in COPA.
12 Chapter 12Figure 12.1 Prevalence of PCOS and its sign and symptoms.Figure 12.2 Differences between normal ovulation and cyst formation (PCOS).Figure 12.3 Factors and food that cause PCOS.Figure 12.4 Factors and reasons behind the infertility condition.Figure 12.5 Insulin resistance (IR) causes and symptoms.
13 Chapter 14Figure 14.1 The difference between the genomics and proteomics. (Source: https:/...Figure 14.2 Gel-based proteomics. (Source: https://www.slideshare.net/AngelSFord...
14 Chapter 15Figure 15.1 The difference between non-covalent and covalent complexes. (a) Inte...Figure 15.2 Covalent bond between protein and peptide substrate (PDB: 1AIM, www....Figure 15.3 OXA23-imipenem interactions (the picture represents the significance...Figure 15.4 The pKa values of existing ionizable residues in the protein will ha...
List of Tables
1 Chapter 1Table 1.1 The list of modeling softwares that are generally used in protein mode...Table 1.2 The list of molecular docking softwares is represented in tabular form...Table 1.3 The list of molecular docking tools is represented in tabular form.Table 1.4 The list of softwares used in the steps of drug designing is represent...
2 Chapter 3Table 3.1 List of some widely and freely available tools and software’s for mole...Table 3.2 List of some widely and freely used tools for physicochemical, toxicit...
3 Chapter 5Table 5.1 Types of screening modes [27].
4 Chapter 7Table 7.1 Milestones in bioinformatics [22].
5 Chapter 10Table 10.1 Types of DNA [230].Table 10.2 Comparison of different types of RNA [233].Table 10.3 Difference between DNA and RNA [235].Table 10.4 Several key articles concerning DNA barcodes have been published sinc...Table 10.5 A brief of the commonly used programs used for the phylogeny and DNA ...Table 10.6 Comparison of the commonly used NGS methods.
6 Chapter 15Table 15.1 The drug discovery process and descriptions.
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