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August 4, 2026Journal of Receptors and Signal Transduction

In silico investigation of novel isatin derivatives as potential multi-target anticancer agents targeting VEGFR-2, EGFR, and caspase-6

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Authors

VKVipul KumarVKVivek KumarPSP. C. Sharma

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Overview

Randomized trial evaluates novel isatin derivatives against VEGFR-2, EGFR, and caspase-6, suggesting a lead compound for cancer therapy.

Key Points

  • This study aims to identify novel isatin derivatives as multi-target anticancer agents targeting VEGFR-2, EGFR, and caspase-6.
  • Designed 85 novel isatin derivatives based on literature and evaluated their drug-likeness and ADME properties.
  • Conducted molecular docking and dynamics simulations to assess binding affinities to targets.
  • Shortlisted 41 compounds for further evaluation based on pharmacokinetic properties.
  • Compound 4 exhibited the most favorable binding profile and stable interactions with VEGFR-2, EGFR, and caspase-6.
  • 41 compounds showed potential for further evaluation based on their binding affinities.
  • Computational approaches proved useful in discovering promising lead candidates for cancer treatment.

Cite This Study

Kumar et al. (2026) studied this question.

synapsesocial.com/papers/6a71993fc47350ef8e494d1chttps://doi.org/10.1080/10799893.2026.2710911
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