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All Journal Science Midwifery Jurnal Farmasi Galenika
Rismawanti, Rusi
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Dentistry Health Professions Medicine & Pharmacology Nursing Public Health Veterinary

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Review Artikel : Evaluasi Hasil Pembentukan Senyawa Kompleks Inklusi Siklodekstrin Untuk Meningkatkan Kelarutan Di Dalam Air Rismawanti, Rusi; Jafar, Garnadi; Herni Kusriani, R.
JURNAL FARMASI GALENIKA Vol 10 No 3 (2023): Jurnal Farmasi Galenika Vol 10 No 3
Publisher : Universitas Bhakti Kencana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70410/jfg.v10i3.321

Abstract

Cyclodextrin is one of the compounds that can increase the solubility of a compound in water by forming inclusion complexes. Almost 70% of new drug candidates discovered recently are compounds that have poor solubility in water, so many researchers are conducting research using cyclodextrin as one of the developments in improving compounds in new drug discovery. However, the results of this complex formation must still be reviewed by researchers, whether the inclusion complex formed has succeeded in changing a compound into water soluble, and stable during its application. This article review summarizes the explanation of the evaluation of the results of the formation of cyclodextrin inclusion complexes with several water-insoluble compounds by searching scientific journals that have been published nationally and internationally in the last 10 (ten) years from 2013-2023 through the google scholar database, Pubchem, and Science Direct. Evaluation of the results of cyclodextrin inclusion complex formation can be done by several methods both computationally and laboratory testing.
Evaluation of the interaction of diosgenin and its derivatives with cyclodextrin to form a water-soluble inclusion complex: A molecular docking study Rismawanti, Rusi; Asnawi, Aiyi; Muttaqin, Fauzan Zein
Science Midwifery Vol 12 No 3 (2024): August: Health Sciences and related fields
Publisher : Institute of Computer Science (IOCS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.35335/midwifery.v12i3.1634

Abstract

Diosgenin as an herbal compound has been shown to have activity as an atherosclerosis agent, but the low solubility of the compound may hinder the research process of diosgenin as a medicinal substance. This study aimed to examine the interaction and affinity of diosgenin compounds and their derivatives with the macromolecule cyclodextrin to increase solubility by inclusion complex formation. Alpha and beta cyclodextrins and all ligands were optimized using the density functional theory (DFT) method and the 6-31G base set with hybrid functional B3LYP. Next, molecular docking was carried out using AutoDock. Of the 12 compounds that were tethered to each macromolecule, the compound 2-chloro-3-(((4S,5'R,6aR,6bS,8aS,8bR,9S,10R,11aS,12aS,12bS)-5',6a,8a,9- tetramethyl-1,3,3',4,4',5,5',6,6a,6b,6',7,8,8a,8b,9,11a,12,12a,12b-icosahydrospiro[naphtho[2',1':4,5]indeno[2,1-b]furan-10,2'-pyran]-4-yl)oxy)naphthalene-1,4-dione (M18) and the α-cyclodextrins were found to have the lowest binding free energy (∆G) and inhibition constant (Ki) of -6.42 kcal/mol and 19.80 uM, respectively. The results of this study can be studied and continued as future research material to develop evidence of increasing solubility in compounds by forming inclusion complexes with macromolecules. In conclusion, diosgenin and cyclodextrin macromolecules interact to form a water-soluble inclusion complex.
Co-Authors Aiyi Asnawi Garnadi Jafar, Garnadi Herni Kusriani, R. Muttaqin, Fauzan Zein