Hydrosoluble and Liposoluble Vitamins: New Perspectives through ADMET Analysis
Mirela Nicolov,
Mioara Cocora,
Valentina Buda,
Corina Danciu,
Adina Octavia Duse,
Claudia Watz,
Florin Borcan
Affiliations
Mirela Nicolov
Departament of Pharmaceutical Physics, Faculty of Pharmacy, Victor Babeș University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timișoara, Romania
Mioara Cocora
Department of Cardiac Surgery, Institute of Cardiovascular Diseases Timișoara, 13A Gh Adam Street, 300310 Timișoara, Romania
Valentina Buda
Department of Clinical Pharmacy, Communication in Pharmacy and Pharmaceutical Care, Faculty of Pharmacy, Victor Babeş University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timișoara, Romania
Corina Danciu
Research Centre for Pharmaco-Toxicological Evaluation, Victor Babeş University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timisoara, Romania
Adina Octavia Duse
Department of Balneology, Medical Recovery and Rheumatology, Faculty of Medicine, Victor Babeș University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timișoara, Romania
Claudia Watz
Departament of Pharmaceutical Physics, Faculty of Pharmacy, Victor Babeș University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timișoara, Romania
Florin Borcan
Department of Analytical Chemistry, Faculty of Pharmacy, Victor Babeș University of Medicine and Pharmacy, 2nd Eftimie Murgu Square, 300041 Timișoara, Romania
Background and Objectives: The present study demonstrates that apart from the well-known toxicity of liposoluble vitamins, some hydrosoluble vitamins may also exert toxicity; thus, routine supplementation with vitamins or ingestion of fortified foods should not be considered harmless. The study addresses the possible correlations between the physico-chemical properties and the side effects of vitamins when taken in high doses or for a too long a period. Materials and Methods: The FAFDrugs4.0 computational tool was used for computational assessment of the ADMET profile of several hydro- and liposoluble vitamins. Results: ADMET analysis revealed the following major data: vitamin B3 and B13 showed reduced structural complexity; thus, a relative toxicological potential may be exerted. Vitamins B1 and B7 were found to have good oral absorption and thus good bioavailability, while Vitamin B3 was found to have decreased oral absorption. In addition, all of the liposoluble vitamins reflected higher complexity, much greater than most of the potentially therapeutically-proven compounds. Conclusions: The present study emphasizes the importance between the physico-chemical properties of vitamins and their possible toxicological impact.
