Article Dans Une Revue Asian Journal of Research in Biochemistry Année : 2025

Evaluation of Physicochemical Parameters Influencing Bioavailability and Therapeutic Potential in Nucleoside Analogues

Résumé

This research systematically investigates the physicochemical properties of novel nucleoside analogues, highlighting their molecular weight, lipophilicity (LogP), solubility, topological polar surface area (TPSA), drug-likeness, bioavailability, and hydrogen bonding characteristics. Computational tools, including SwissADME and ChemAxon, were employed to predict and analyze these essential parameters. The findings demonstrate optimal molecular weight ranges, moderate lipophilicity, and varied solubility profiles, significantly influencing the potential pharmacokinetic and pharmacodynamic profiles of the developed compounds. Our analysis revealed that compounds such as O4-Methylthymidine and 5-Fluorouridine exhibited optimal physicochemical profiles, including high solubility (9.87 mg/mL and 8.02 mg/mL, respectively), moderate lipophilicity (LogP 0.97–2.43), and favourable TPSA values (≤ 100 Ų), suggesting high potential for oral bioavailability. Notably, six compounds complied with Lipinski’s Rule and five met Veber’s rule, indicating strong drug-likeness. However, AMP-γ-S and 6-Thioguanosine exhibited low bioavailability (0.13 and 0.14, respectively), warranting further formulation development.

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Dates et versions

hal-05157311 , version 1 (11-07-2025)

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  • HAL Id : hal-05157311 , version 1

Citer

Madhukant Vashishtha, Danveer Singh Yadav. Evaluation of Physicochemical Parameters Influencing Bioavailability and Therapeutic Potential in Nucleoside Analogues. Asian Journal of Research in Biochemistry, 2025, 15 (4), pp.85-95. ⟨hal-05157311⟩
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