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IDENTIFIKASI EFEK DEPRESAN SSP (SUSUNAN SARAF PUSAT) ANTIKEJANG DAN NEUROTOKSISITAS SENYAWA 4-KLOROBENZOILTIOUREA PADA MENCIT PUTIH JANTAN Aguslina kirtishanti dan Dini Kesuma
Jurnal Teknosains Vol 2, No 1 (2012): December
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/teknosains.5980

Abstract

The study on the development of benzoylthiourea derivatives as central nervous system (CNS) depressants was based on their structure, which contains acyclic ureide, an isosteric group of CNS depressant drugs common structure. The study was carried out by modifying the structure of benzoylthiourea using the Topliss model based on the enhancement of its lipophilic and electronic properties. It is predicted that the product will give higher activity than the parent compound. In this study, identification of CNS depressant, anticonvulsant and neurotoxicity effects of the compound synthesized, i.e. 4-chlorobenzoylthiourea, was conducted. The identification of CNS depressant effects was done using Barbiturate Sleeping Time, the identification of anticonvulsant effects was done using Maximum Electroshock Seizure and the identification of neurotoxicity effect was done using rotarod in mice (Mus musculus). This study used five groups of mice: a control group, a standard group (Phenobarbital Na) and 3 treatment groups with doses of 15 mg/kg, 45 mg/kg and 75 mg/kg respectively. From the results, it can be concluded that 4-chlorobenzoylthiourea gives the best CNS depressant, anticonvulsant and neurotoxicity effects at the doses of 75 mg/kg, 15 mg/kg and 45 mg/kg respectively. 
The effect of mengkudu fruit methanolic extract and methanolic residual fraction on GLUT-4 protein elevation Aguslina Kirtishanti
Indonesian Journal of Pharmacy Vol 20 No 4, 2009
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (189.458 KB) | DOI: 10.14499/indonesianjpharm0iss0pp170-177

Abstract

Investigating in the Diabetes Mellitus drug which one having good activity and tolerance to patients are still in researchers’ concern. One of the main topics now days is the use of mengkudu plants as a traditional medicine of Diabetes Mellitus. This research was aimed to determine the increase of GLUT-4 protein in type 2 Diabetes Mellitus rats after given methanolic extract and methanolic residual of mengkudu fruit. The male rats were diabetic induced with exogenous i.p. insulin for 10 days. After showing hyperglycemic effect, the rats were given orally methanolic extract and methanolic residual fraction of mengkudu fruit for 4 days. On the fifth day, fasting blood glucose was measured and the rats were sacrificed to take the thigh muscle tissue for immunohistochemical calculation.The result showed that methanolic extract and methanolic residual of mengkudu fruit increase the amount of GLUT-4 protein, but can not reduce fasting blood glucose levels of male white rats.Key words : mengkudu fruit (Morinda citrifolia L.), methanolic extract and methanolic residual, type 2 Diabetes Mellitus, GLUT-4 protein
Reverse Docking, Molecular Docking, Absorption, Distribution, and Toxicity Prediction of Artemisinin as an Anti-diabetic Candidate Ruswanto Ruswanto; Richa Mardianingrum; Siswandono Siswandono; Dini Kesuma
Molekul Vol 15, No 2 (2020)
Publisher : Universitas Jenderal Soedirman

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (465.792 KB) | DOI: 10.20884/1.jm.2020.15.2.579

Abstract

Aldose reductase is an enzyme that catalyzes one of the steps in the sorbitol (polyol) pathway that is responsible for fructose formation from glucose. In diabetes, aldose reductase activity increases as the glucose concentration increases. The purpose of this research was to identify and develop the use of artemisinin as an anti-diabetic candidate through in silico studies, including reverse docking, receptor analysis, molecular docking, drug scan, absorption, and distributions and toxicity prediction of artemisinin. Based on the results, we conclude that artemisinin can be used as an anti-diabetic candidate through inhibition of aldose reductase
In Silico Study of 4-Chloro-N-(Phenylcarbamothioyl)-benzamide as an Anticancer Candidate: Molecular Docking Analysis and ADMET Profiling Ida Bagus Oka Wisnu Andhika; Dini Kesuma; Aguslina Kirtishanti
Prisma Sains : Jurnal Pengkajian Ilmu dan Pembelajaran Matematika dan IPA IKIP Mataram Vol. 14 No. 4: October 2026
Publisher : Universitas Pendidikan Mandalika

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33394/j-ps.v14i4.22783

Abstract

Glutaminase (GLS) is an enzyme involved in cellular glutamine metabolism and has been investigated as a potential target in cancer research. This study aimed to conduct an exploratory in silico assessment of 4-chloro-N-(phenylcarbamothioyl)-benzamide (4-Cl-PCTB) through molecular docking against GLS and prediction of its physicochemical and ADMET properties. The molecular structure of 4-Cl-PCTB was prepared using Chem3D version 16.0, while molecular docking was performed using Molegro Virtual Docker version 7.0 with the GLS structure obtained from the Protein Data Bank (PDB ID: 8JUB). The predicted physicochemical and pharmacokinetic properties were evaluated using SwissADME and pkCSM. The reported molecular docking analysis yielded a Rerank Score of −78.023 for 4-Cl-PCTB, compared with −85.728 for lapatinib. The predicted human intestinal absorption of 4-Cl-PCTB was 88.309%, while its molecular weight and consensus LogP were reported as 290.77 Da and 2.73, respectively. These results represent computational predictions and do not establish experimentally confirmed GLS binding affinity, enzyme inhibition, oral bioavailability, or safety. Furthermore, limitations in the available docking documentation and inconsistencies in some reported computational parameters restrict the interpretation of the findings. The comparison with lapatinib should also be interpreted cautiously because it was not established as a GLS-specific reference inhibitor. In conclusion, 4-Cl-PCTB warrants further investigation as a computationally assessed compound; however, its potential as an anticancer candidate remains unconfirmed. Reproducible docking studies, biochemical GLS inhibition assays, and appropriate cellular experiments are required to establish its biological relevance.