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Efficacy and Toxicity Assessment of Different Antibody Based Antiangiogenic Drugs by Computational Docking Method
Sayan Mukherjee1, Gopa Chatterjee2, Moumita Ghosh1
1Department of Physiology, West Bengal State University, Berunanpukuria, Malikapur, Barasat, Kolkata 700 126, India.
Abstract:
Bevacizumab and trastuzumab are two antibody based antiangiogenic drugs that are in clinical practice for the treatment of different cancers. Presently applications of these drugs are based on the empirical choice of clinical experts that follow towards population based clinical trials and, hence, their molecular efficacies in terms of quantitative estimates are not being explored. Moreover, different clinical trials with these drugs showed different toxicity symptoms in patients. Here, using molecular docking study, we made an attempt to reveal the molecular rationale regarding their efficacy and off-target toxicity. Though our study reinforces their antiangiogenic potentiality and, among the two, trastuzumab has much higher efficacy; however, this study also reveals that compared to bevacizumab, trastuzumab has higher toxicity effect, specially on the cardiovascular system. This study also reveals the molecular rationale of ocular dysfunction by antiangiogenic drugs. The molecular rationale of toxicity as revealed in this study may help in the judicious choice as well as therapeutic scheduling of these drugs in different cancers.
Insights
Bevacizumab and trastuzumab are antiangiogenic drugs used in cancer treatment. Molecular docking reveals trastuzumab has higher efficacy but also greater cardiovascular toxicity than bevacizumab.
Area of Science:
- Oncology
- Pharmacology
- Computational Biology
Background:
- Bevacizumab and trastuzumab are antibody-based antiangiogenic drugs used for various cancers.
- Current drug selection relies on clinical expertise and population trials, lacking quantitative molecular efficacy data.
- Clinical trials report varied toxicity profiles for these antiangiogenic agents.
Purpose of the Study:
- To elucidate the molecular basis of efficacy and off-target toxicity for bevacizumab and trastuzumab.
- To provide quantitative molecular insights into the differential effects of these antiangiogenic drugs.
- To understand the molecular mechanisms behind drug-induced ocular dysfunction.
Main Methods:
- Utilized molecular docking simulations to analyze drug-target interactions.
- Assessed binding affinities and potential off-target interactions.
- Correlated docking results with known clinical efficacy and toxicity data.
Main Results:
- Confirmed the antiangiogenic potential of both bevacizumab and trastuzumab.
- Trastuzumab demonstrated significantly higher molecular efficacy compared to bevacizumab.
- Trastuzumab exhibited a higher propensity for cardiovascular toxicity and ocular dysfunction compared to bevacizumab.
Conclusions:
- Molecular docking provides rationale for differential efficacy and toxicity of bevacizumab and trastuzumab.
- Trastuzumab's higher efficacy is linked to increased cardiovascular and ocular toxicity.
- Findings may guide judicious selection and therapeutic scheduling of these antiangiogenic drugs in cancer therapy.
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