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Research Paper | Chemistry | Volume 15 Issue 9, September 2026 | Pages: 623 - 625 | India
In Silico Evaluation of the Physicochemical, Pharmacokinetic and Drug-Likeness Properties of Gabapentin Using SwissADME
Abstract: Gabapentin is a structurally distinctive ?-aminobutyric acid (GABA) analogue widely used in the management of neuropathic pain and as an anticonvulsant agent. The present study focuses on the in silico evaluation of the physicochemical, pharmacokinetic, drug-likeness, and medicinal-chemistry properties of gabapentin using the SwissADME web-based platform. The molecular structure of gabapentin was subjected to computational analysis to determine key parameters including molecular weight, hydrogen-bonding characteristics, topological polar surface area (TPSA), lipophilicity, aqueous solubility, gastrointestinal (GI) absorption, blood-brain barrier (BBB) permeability, cytochrome P450 (CYP) enzyme inhibition, and compliance with established drug-likeness rules. The predicted results provide an integrated assessment of the relationship between the molecular structure of gabapentin and its absorption, distribution, metabolism, and excretion (ADME) characteristics. The analysis indicates that gabapentin possesses favorable physicochemical properties and satisfies major drug-likeness criteria, while its polar and ionizable structural features influence its permeability and distribution characteristics. The SwissADME profile also provides useful insights into the absence or presence of significant metabolic interactions predicted through major CYP isoenzymes. Overall, the study demonstrates the usefulness of SwissADME as a rapid computational tool for preliminary characterization of gabapentin and provides a structural basis for understanding its pharmacokinetic behavior. Such in silico approaches can complement experimental investigations and support the rational evaluation of drug molecules in pharmaceutical and medicinal chemistry research.
Keywords: Gabapentin; SwissADME; ADME; Drug-likeness; Pharmacokinetics; Lipophilicity; GI absorption; Blood?brain barrier; CYP inhibition; In silico analysis
How to Cite?: K. Laxmi, "In Silico Evaluation of the Physicochemical, Pharmacokinetic and Drug-Likeness Properties of Gabapentin Using SwissADME", Volume 15 Issue 9, September 2026, International Journal of Science and Research (IJSR), Pages: 623-625, https://www.ijsr.net/getabstract.php?paperid=SR26909141033, DOI: https://dx.doi.org/10.21275/SR26909141033