Theoretical Study of Platinum Compound Interactions with DNA and Hydrolysis
Author Information
Author(s): Song Zhenjun, Liu Mingyue, Zhong Aiguo, Yang Meiding, He Zhicai, Wang Wenmin, Li Hongdao, Kotlyar Alexander B.
Primary Institution: Engineering Research Center of Recycling & Comprehensive Utilization of Pharmaceutical and Chemical Waste of Zhejiang Province, School of Pharmaceutical and Chemical Engineering, Taizhou University, Taizhou 318000, China
Hypothesis
How does the platinum compound interact with DNA purine bases and undergo hydrolysis on a gold-magnesia hybrid structure?
Conclusion
The study reveals that the hydrolysis of the platinum compound is easily achievable and that it interacts significantly with DNA bases.
Supporting Evidence
- The hydrolysis of the platinum compound is endothermic by 0.309 eV, indicating it is easily achievable.
- The binding mechanism with DNA bases shows significant charge transfer.
- The study provides theoretical clues for developing inorganic oxide carriers for platinum drugs.
- ADME predictions indicate good solubility and high gastrointestinal absorption for the hydrolysis products.
Takeaway
This research shows how a platinum drug can easily break down and interact with DNA, which is important for cancer treatment.
Methodology
Density-functional theory calculations were used to study the adsorption, hydrolysis, and interaction of the platinum compound with DNA bases.
Digital Object Identifier (DOI)
Want to read the original?
Access the complete publication on the publisher's website