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An overview of in silico methods used in the design of VEGFR-2 inhibitors as anticancer agents

  • Richie R. Bhandare EMAIL logo , Bulti Bakchi , Dilep Kumar Sigalapalli and Afzal B. Shaik EMAIL logo
Published/Copyright: January 5, 2022
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Physical Sciences Reviews
From the journal Physical Sciences Reviews Volume 8 Issue 9

Abstract

VEGFR-2 enzyme known for physiological functioning of the cell also involves in pathological angiogenesis and tumor progression. Recently VEGFR-2 has gained the interest of researchers all around the world as a promising target for the drug design and discovery of new anticancer agents. VEGFR2 inhibitors are a major class of anticancer agents used for clinical purposes. In silico methods like virtual screening, molecular docking, molecular dynamics, pharmacophore modeling, and other computational approaches help extensively in identifying the main molecular interactions necessary for the binding of the small molecules with the respective protein target to obtain the expected pharmacological potency. In this chapter, we discussed some representative case studies of in silico techniques used to determine molecular interactions and rational drug design of VEGFR-2 inhibitors as anticancer agents.

Keywords: anticancer agents; drug discovery; molecular docking; molecular interactions; molecular modeling; VEGFR-2 inhibitors
Corresponding authors: Richie R. Bhandare, College of Pharmacy & Health Sciences, Ajman University, P.O. Box 340, Ajman, United Arab Emirates; and Center of Medical and Bio-allied Health Sciences Research, Ajman University, Ajman, United Arab Emirates, E-mail: ; and Afzal B. Shaik, Department of Pharmaceutical Chemistry, Vignan Pharmacy College, Jawaharlal Nehru Technological University, Vadlamudi 522213, Andhra Pradesh, India, E-mail:

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Research funding: None declared.

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

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Received: 2021-08-28
Accepted: 2021-09-07
Published Online: 2022-01-05

© 2021 Walter de Gruyter GmbH, Berlin/Boston

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  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
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https://doi.org/10.1515/psr-2018-0163
Keywords for this article
anticancer agents; drug discovery; molecular docking; molecular interactions; molecular modeling; VEGFR-2 inhibitors

Articles in the same Issue

  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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