16 Identifying prominent molecular targets in the fight against drug resistance
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Bhupender Nehra
Abstract
Drug resistance is a complex concern that can develop in cancer cells or infections through a variety of pathways. Developing effective solutions to treat drug resistance requires an understanding of the molecular targets involved in the phenomenon. The wide spectrum of clinical diseases can be linked to many resistance mechanisms, such as upregulated DNA repair processes, destruction of biofilms, mutations in target proteins, efflux pumps, and increased drug metabolism by enzymes. These molecular targets and tactics demonstrate the variety of ways that drug resistance is being studied. In particular, combination therapies and novel drug delivery systems hold great promise for defeating the adaptive mechanisms that cancer cells or infections use to resist the effect of medicines. This book chapter summarizes the various molecular targets that may have been observed in the pathophysiology of various diseases, together with the related mechanisms. By keeping these mechanisms in mind, scientists may systematically identify the molecular targets and pathways that contribute to medication resistance, which will help them to build more potent and focused treatment plans to address resistance in a variety of illnesses.
Abstract
Drug resistance is a complex concern that can develop in cancer cells or infections through a variety of pathways. Developing effective solutions to treat drug resistance requires an understanding of the molecular targets involved in the phenomenon. The wide spectrum of clinical diseases can be linked to many resistance mechanisms, such as upregulated DNA repair processes, destruction of biofilms, mutations in target proteins, efflux pumps, and increased drug metabolism by enzymes. These molecular targets and tactics demonstrate the variety of ways that drug resistance is being studied. In particular, combination therapies and novel drug delivery systems hold great promise for defeating the adaptive mechanisms that cancer cells or infections use to resist the effect of medicines. This book chapter summarizes the various molecular targets that may have been observed in the pathophysiology of various diseases, together with the related mechanisms. By keeping these mechanisms in mind, scientists may systematically identify the molecular targets and pathways that contribute to medication resistance, which will help them to build more potent and focused treatment plans to address resistance in a variety of illnesses.
Chapters in this book
- Frontmatter I
- Contents V
- 1 Historical development of computer-aided drug design 1
- 2 Lead-hit-based methods for drug design and ligand identification 23
- 3 Virtual screening tools in ligand and receptor-based drug design 51
- 4 State-of-the-art modeling techniques in performing docking algorithms and scoring 65
- 5 Design of computational chiral compounds for drug discovery and development 81
- 6 Role of integrated bioinformatics in structure-based drug design 91
- 7 Molecular recognizable tools in X-ray crystallography in computer-aided drug design 133
- 8 Design of target hit molecules using molecular dynamic simulations: special key aspects of GROMACS or Role of molecular dynamic simulations in designing a hit molecule for drug discovery 151
- 9 Computational prediction of drug-limited solubility and CYP450-mediated biotransformation 175
- 10 Recent advancement in binding free-energy calculation 211
- 11 Role of structural genomics in drug discovery 243
- 12 Unlocking therapeutic potential: computational approaches for enzyme inhibition discovery 295
- 13 Role of spectroscopy in drug discovery 319
- 14 Computer-aided design of peptidomimetic therapeutics 351
- 15 Developing safer therapeutic agents through toxicity prediction 379
- 16 Identifying prominent molecular targets in the fight against drug resistance 403
- Index 429
Chapters in this book
- Frontmatter I
- Contents V
- 1 Historical development of computer-aided drug design 1
- 2 Lead-hit-based methods for drug design and ligand identification 23
- 3 Virtual screening tools in ligand and receptor-based drug design 51
- 4 State-of-the-art modeling techniques in performing docking algorithms and scoring 65
- 5 Design of computational chiral compounds for drug discovery and development 81
- 6 Role of integrated bioinformatics in structure-based drug design 91
- 7 Molecular recognizable tools in X-ray crystallography in computer-aided drug design 133
- 8 Design of target hit molecules using molecular dynamic simulations: special key aspects of GROMACS or Role of molecular dynamic simulations in designing a hit molecule for drug discovery 151
- 9 Computational prediction of drug-limited solubility and CYP450-mediated biotransformation 175
- 10 Recent advancement in binding free-energy calculation 211
- 11 Role of structural genomics in drug discovery 243
- 12 Unlocking therapeutic potential: computational approaches for enzyme inhibition discovery 295
- 13 Role of spectroscopy in drug discovery 319
- 14 Computer-aided design of peptidomimetic therapeutics 351
- 15 Developing safer therapeutic agents through toxicity prediction 379
- 16 Identifying prominent molecular targets in the fight against drug resistance 403
- Index 429
