@article{scholars12580, doi = {10.1016/j.carres.2020.108138}, note = {cited By 11}, publisher = {Elsevier Ltd}, year = {2020}, title = {Studies on the supramolecular complex of a guanosine with beta-cyclodextrin and evaluation of its anti-proliferative activity}, journal = {Carbohydrate Research}, volume = {497}, url = {https://www.scopus.com/inward/record.uri?eid=2-s2.0-85090364556&doi=10.1016\%2fj.carres.2020.108138&partnerID=40&md5=fd9cf4353a742d22bed70886f9c4742d}, author = {Prabu, S. and Samad, N. A. and Ahmad, N. A. and Jumbri, K. and Raoov, M. and Rahim, N. Y. and Samikannu, K. and Mohamad, S.}, abstract = {The behavior of the inclusion behavior of guanosine (GU) with beta-cyclodextrin ({\^I}2-CD) in the liquid, solid and virtual state were investigated. The absorption and fluorescence spectral were used to determine the inclusion behavior in liquid state. FT-IR, NMR, TGA, DSC, PXRD and FESEM techniques were used to investigate the inclusion behavior in solid-state, meanwhile the virtual state studies are done by molecular docking. The solid inclusion complex (GU: {\^I}2-CD) was prepared by using the co-precipitation method. The binding constant (K) of (GU: {\^I}2-CD) was calculated by using Benesi-Hildebrand. Besides that, the 1:1 stoichiometric ratio of inclusion complex was confirmed by using the Benesi-Hildebrand plot and Job's plot of continuous variation method. The most preferable model of GU: {\^I}2-CD that suggested via molecular docking studies was in good agreement with experimental results. The inclusion complex of GU: {\^I}2-CD exerted its toxicity effects towards HepG2 cell lines based on the reduced number of cell viability and lowest IC50 value compared to the GU and {\^I}2-CD viability. {\^A}{\copyright} 2020 Elsevier Ltd}, issn = {00086215}, keywords = {Biomolecules; Cell culture; Molecular modeling; Precipitation (chemical), Anti-proliferative activities; Continuous variation methods; Coprecipitation method; Inclusion behavior; Inclusion complex; Solid inclusion complexes; Stoichiometric ratio; Supramolecular complexes, Cyclodextrins, beta cyclodextrin; guanosine; antineoplastic agent; beta cyclodextrin derivative; guanosine, absorption; antiproliferative activity; apoptosis; Article; association constant; cell proliferation; cell viability; controlled study; differential scanning calorimetry; drug toxicity; evaluation study; field emission scanning electron microscopy; fluorescence; Fourier transform infrared spectroscopy; Hep-G2 cell line; human; human cell; IC50; molecular docking; nuclear magnetic resonance; precipitation; priority journal; supramolecular chemistry; thermogravimetry; X ray diffraction; chemistry; conformation; drug effect, Antineoplastic Agents; beta-Cyclodextrins; Cell Proliferation; Guanosine; Hep G2 Cells; Humans; Molecular Conformation; Molecular Docking Simulation} }