Laser-Induced Dimeric Photoproducts of Chlorpromazine: LC-MS Identification and Molecular Docking Evidence of Enhanced Anticancer Potential
Abstract
Breast cancer treatments, such as chemotherapy, radiation, and surgery, often face significant limitations, highlighting the need for more effective and targeted therapies. Here, we investigate the potential of 266 nm laser irradiation of chlorpromazine as a novel approach to develop new antitumoral compounds. We identify six chlorpromazine photocompounds with masses in the range of 178-334 u, along with several dimeric compounds with masses between 566 and 600 u, using an HPLC-MS. In silico approaches assess their pharmacokinetic and pharmacodynamic properties while comparing their toxicity with the parent compound. Molecular docking simulations indicate that some photoproducts have a low estimated free energy of binding to cancer-related targets, suggesting enhanced therapeutic potential compared to chlorpromazine. Additionally, ADME-Tox predictions indicate that these photoproducts may have pharmacokinetic and toxicity profiles similar to chlorpromazine. Overall, this study highlights that laser-generated chlorpromazine photoproducts exhibit enhanced biological activity to breast cancer-related targets compared to chlorpromazine while maintaining a similar ADME-Tox profile.
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