| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877674 | Journal of Molecular Graphics and Modelling | 2014 | 9 Pages |
Abstract
- Multitarget affinity of cytotoxic alkaloid vinblastine (VLB) has been investigated.
- Interaction profiles of VLB with DNA, HSA and tubulin have been compared using exhaustive molecular docking and QM-MM calculations.
- Vinblastine tends to bind with multiple receptors in a pose that is closer to its crystal geometry.
- Hydrophobic interactions were found to be more significant for vinblastine binding.
- The number of H-bonds or cation-pi bonds do not have significant role in binding affinity variations.
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Authors
Prateek Pandya, Lokesh Kr Agarwal, Neelima Gupta, Sourav Pal,