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Pharmaceutical interest of in-silico approaches

  • Dinesh Kumar ORCID logo EMAIL logo , Pooja Sharma , Ayush Mahajan , Ravi Dhawan und Kamal Dua
Veröffentlicht/Copyright: 6. Januar 2022
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Physical Sciences Reviews
Aus der Zeitschrift Physical Sciences Reviews Band 8 Heft 9

Abstract

The virtual environment within the computer using software performed on the computer is known as in-silico studies. These drugs designing software play a vital task in discovering new drugs in the field of pharmaceuticals. These designing programs and software are employed in gene sequencing, molecular modeling, and in assessing the three-dimensional structure of the molecule, which can further be used in drug designing and development. Drug development and discovery is not only a powerful, extensive, and an interdisciplinary system but also a very complex and time-consuming method. This book chapter mainly focused on different types of in-silico approaches along with their pharmaceutical applications in numerous diseases.

Keywords: in-silico approaches ; lead optimization; molecular docking; pharmaceutical application
Corresponding author: Dinesh Kumar, Sri Sai College of Pharmacy, Manawala, Amritsar 143001, Punjab, India, E-mail:

Acknowledgments

The authors are thankful to the Vice-chancellor of Punjabi University Patiala, India for their encouragement. The authors are also thankful to Er. S. K. Punj, Chairman, Sri Sai Group of Institutes and Smt. Tripta Punj, Managing Director, Sri Sai Group of Institutes for their constant moral support.

  1. Author Contributions: Conceptualization and methodology-DK, PS and AM; writing-original draft preparation, Ravi Dhawan RD and Kamal Dua KD software, data curation, writing—review and editing, visualization, supervision-DK and RD; project administration-DK, RD, and KD. All authors have read and agreed to the published version of the manuscript.

  2. Research funding: None declared.

  3. Conflict of interest statement: The authors declare no conflicts of interest regarding this article.

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Published Online: 2022-01-06

© 2021 Walter de Gruyter GmbH, Berlin/Boston

Artikel in diesem Heft

  1. Frontmatter
  2. Reviews
  3. Magnetic characterization of magnetoactive elastomers containing magnetic hard particles using first-order reversal curve analysis
  4. Microscopic understanding of particle-matrix interaction in magnetic hybrid materials by element-specific spectroscopy
  5. Biodeinking: an eco-friendly alternative for chemicals based recycled fiber processing
  6. Bio-based polyurethane aqueous dispersions
  7. Cellulose-based polymers
  8. Biodegradable shape-memory polymers and composites
  9. Natural substances in cancer—do they work?
  10. Personalized and targeted therapies
  11. Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction
  12. Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery
  13. Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State
  14. Techniques for the detection and quantification of emerging contaminants
  15. Occurrence, fate, and toxicity of emerging contaminants in a diverse ecosystem
  16. Updates on the versatile quinoline heterocycles as anticancer agents
  17. Trends in microbial degradation and bioremediation of emerging contaminants
  18. Power to the city: Assessing the rooftop solar photovoltaic potential in multiple cities of Ecuador
  19. Phytoremediation as an effective tool to handle emerging contaminants
  20. Recent advances and prospects for industrial waste management and product recovery for environmental appliances: a review
  21. Integrating multi-objective superstructure optimization and multi-criteria assessment: a novel methodology for sustainable process design
  22. A conversation on the quartic equation of the secular determinant of methylenecyclopropene
  23. Recent developments in the synthesis and anti-cancer activity of acridine and xanthine-based molecules
  24. An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents
  25. Fragment based drug design
  26. Advances in heterocycles as DNA intercalating cancer drugs
  27. Systems biology–the transformative approach to integrate sciences across disciplines
  28. Pharmaceutical interest of in-silico approaches
  29. Membrane technologies for sports supplementation
  30. Fused pyrrolo-pyridines and pyrrolo-(iso)quinoline as anticancer agents
  31. Membrane applications in the food industry
  32. Membrane techniques in the production of beverages
  33. Statistical methods for in silico tools used for risk assessment and toxicology
  34. Dicarbonyl compounds in the synthesis of heterocycles under green conditions
  35. Green synthesis of triazolo-nucleoside conjugates via azide–alkyne C–N bond formation
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https://doi.org/10.1515/psr-2018-0157
Schlagwörter für diesen Artikel
in-silico approaches; lead optimization; molecular docking; pharmaceutical application

Artikel in diesem Heft

  1. Frontmatter
  2. Reviews
  3. Magnetic characterization of magnetoactive elastomers containing magnetic hard particles using first-order reversal curve analysis
  4. Microscopic understanding of particle-matrix interaction in magnetic hybrid materials by element-specific spectroscopy
  5. Biodeinking: an eco-friendly alternative for chemicals based recycled fiber processing
  6. Bio-based polyurethane aqueous dispersions
  7. Cellulose-based polymers
  8. Biodegradable shape-memory polymers and composites
  9. Natural substances in cancer—do they work?
  10. Personalized and targeted therapies
  11. Identification of potential histone deacetylase inhibitory biflavonoids from Garcinia kola (Guttiferae) using in silico protein-ligand interaction
  12. Chemical computational approaches for optimization of effective surfactants in enhanced oil recovery
  13. Social media and learning in an era of coronavirus among chemistry students in tertiary institutions in Rivers State
  14. Techniques for the detection and quantification of emerging contaminants
  15. Occurrence, fate, and toxicity of emerging contaminants in a diverse ecosystem
  16. Updates on the versatile quinoline heterocycles as anticancer agents
  17. Trends in microbial degradation and bioremediation of emerging contaminants
  18. Power to the city: Assessing the rooftop solar photovoltaic potential in multiple cities of Ecuador
  19. Phytoremediation as an effective tool to handle emerging contaminants
  20. Recent advances and prospects for industrial waste management and product recovery for environmental appliances: a review
  21. Integrating multi-objective superstructure optimization and multi-criteria assessment: a novel methodology for sustainable process design
  22. A conversation on the quartic equation of the secular determinant of methylenecyclopropene
  23. Recent developments in the synthesis and anti-cancer activity of acridine and xanthine-based molecules
  24. An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents
  25. Fragment based drug design
  26. Advances in heterocycles as DNA intercalating cancer drugs
  27. Systems biology–the transformative approach to integrate sciences across disciplines
  28. Pharmaceutical interest of in-silico approaches
  29. Membrane technologies for sports supplementation
  30. Fused pyrrolo-pyridines and pyrrolo-(iso)quinoline as anticancer agents
  31. Membrane applications in the food industry
  32. Membrane techniques in the production of beverages
  33. Statistical methods for in silico tools used for risk assessment and toxicology
  34. Dicarbonyl compounds in the synthesis of heterocycles under green conditions
  35. Green synthesis of triazolo-nucleoside conjugates via azide–alkyne C–N bond formation
  36. Anaerobic digestion fundamentals, challenges, and technological advances
  37. Survival is the driver for adaptation: safety engineering changed the future, security engineering prevented disasters and transition engineering navigates the pathway to the climate-safe future
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Heruntergeladen am 14.9.2025 von https://www.degruyterbrill.com/document/doi/10.1515/psr-2018-0157/html
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