QSPR graph model to explore physicochemical properties of potential antiviral drugs of dengue disease through novel coloring-based topological indices.

ABSTRACT: Dengue is a viral disease transmitted to humans through mosquito bites. Researchers have investigated various drugs with potential antiviral properties against it. Some of the promising antiviral drugs include UV-4B (N-9-methoxynonyl-1-deoxynojirimycin), Lycorine, ST-148, 4-HPR, Silymarin, Baicalein, Quercetin, Naringenin, Nelfinavir, Ivermectin, Mosnodenvir (JNJ-1802), NITD-688, Metoclopramide, JNJ-A07 and Betulinic acid. The chemical structure of a drug can be modelled as an isomorphic molecular graph G(V,E) , considering the atoms as the vertex set V(G) and the bonds between the pair of atoms as the edge set E(G) . Graph coloring and topological indices serve as a powerful tools for analyzing the isomorphic molecular graph, providing the structural characterization and computational stu

SUBMITTER: Yogalakshmi C 

PROVIDER: S-EPMC12400515 | biostudies-literature | 2025

REPOSITORIES: biostudies-literature