B.S. Ari Sudarmanto, B.S. Ari
Departement of Chemistry Faculty of Pharmacy Universitas Gadjah Mada Yogyakarta

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MOLECULAR MODELING OF VITEOSIN-A, A TRACHEOSPASMOLYTIC COMPOUND ISOLATED FROM N-HEXANE EXTRACT OF THE LEAVES OF Vitex Trifolia L. Alam, Gemini; Sudarmanto, B.S. Ari; Astuti, Puji; Wahyuono, Subagus
INDONESIAN JOURNAL OF PHARMACY Vol 13 No 4, 2002
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (179.572 KB) | DOI: 10.14499/indonesianjpharm0iss0pp180-184

Abstract

Viteosin-A, a tracheospasmolytic compound, was successfully isolated from n-hexane extract of the leaves of Vitex trifolia L. With the concentration of 0.05 and 0.15 mg/ml viteosin-A inhibited a guinea pig tracheal contraction due to histamine (10-7 – 10-3 M) in vitro by 27.1 and 47.9 %, respectively. Confirmation of C-5 and C-6 configuration is necessary to determine the active reaction site of viteosin-A and its receptor for future development. This research was focused on a molecular modeling of viteosin-A using computational method with HyperChem Pro 4.0 for Windows as software. Based on spectroscopic data and molecular modeling, viteosin-A has S configuration at C-5 and C-6, and therefore was confirmed as (5S,10S)-6S-acetoxy-8R-methyl-9-hidroxy-labda-13Z-en-16,15-olide.Keywords: viteosin-A, molecular modeling
Bioaccumulation of polycyclic aromatic hydrocarbons in Panaceus merquensis and Calappa flammea in south sea water Jogjakarta Lukitaningsih, Endang; Sudarmanto, B.S. Ari; Primadesa, Lina
INDONESIAN JOURNAL OF PHARMACY Vol 15 No 3, 2004
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (282.515 KB) | DOI: 10.14499/indonesianjpharm0iss0pp110-117

Abstract

Polycyclic aromatic hydrocarbons (PAHs) are a class of organic chemicals, composed of fused benzene rings, occurred in the environment due to incomplete combustion of fossil fuels. Health concerns are focused on the metabolite transformation of PAHs, which is carcinogenic, mutagenic and terratogenic. Due to their hydrophobicity in aquatic environment, PAHs are accumulated to the more lipophilic ecocompartments such as biolipid tissues and sediments, so PAHs can be distributed through food chain system. In this research, five kinds of PAHs (i.e. pyrene, benz(a)anthracene, benz(k)fluoranthene, benz(a)pyrene and perylene) in shrimps (Panaceus merquensis) and crabs (Calappa flammea) collected from the south sea beach water system at Jogjakarta were investigated. PAHs analysis were worked out by gas chromatography with flame ionization detector. It can be shown from this research that PAHs accumulate into each biota.The results showed that bioacumulation factor value of total PAHs in shrimp and crab are 2388.33-23486.54 and 13870.92-96078 respectively. The logarithmic value of bioacumulation factor of total PAHs in shrimp and crab are 3.378-4.371 and 4.142-4.983 respectively. According to the World Health Organization (WHO) recommendation, the level of PAHs concentration in water sample is safe.Key words : polycyclic aromatic hydrocarbons, bioacumulation, shrimp (Panaceus merquensis) and crab (Calappa flammea)
Application of quantum chemical descriptors in QSAR analysis of curcumin derivatives as ethoxyresorufin o-dealkylation inhibitor Sudarmanto, B.S. Ari; Oetari, R. A.
INDONESIAN JOURNAL OF PHARMACY Vol 18 No 3, 2007
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (237.269 KB) | DOI: 10.14499/indonesianjpharm0iss0pp147-153

Abstract

Quantitative Structure-Activity Relationship (QSAR) have established 26 curcumin derivatives to correlate and predict ethoxyresorufin Odeethylation (EROD) inhibitory activity. The AM1 semiempirical quantum mechanic method was applied in geometry optimization and descriptor calculation. Genetic Algoritm combined with Multiple Linear Regression Analysis (GA-MLRA) technique was applied to select the descriptors and to generate the equation that relate the structural features to the biological activity. The result of GA-MLRA showed that quantum chemical descriptors QSAR had good statistical fits. Energy level of the lowest unoccupied molecular orbital, logP, momen dipole, and nett charge of C1, C6 and C9 atoms play an important role in EROD inhibition.Key words : QSAR, quantum-chemical descriptor, curcumin derivatives, EROD.
CLEANING EFFECTIVITY OF SEVERAL SURFACTANS TO PESTISIDES RESIDUES ON FRESH APEL FRUITS Lukitaningsih, Endang; Sudarmanto, B.S. Ari; Noegrohati, Sri
INDONESIAN JOURNAL OF PHARMACY Vol 13 No 4, 2002
Publisher : Faculty of Pharmacy Universitas Gadjah Mada, Yogyakarta, Skip Utara, 55281, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (65.324 KB) | DOI: 10.14499/indonesianjpharm0iss0pp200-206

Abstract

Intensification efforts in farming to increase productivity must consider the pesticide utilization, especially insecticide and herbicide. Several pestisides which are still used include carbofuran and organochlorine, some of them have lipofilic properties and might harm to human health. Therefore, an effort is required to washing off pesticides from farming products is one of the effort which can be performed. Since pesticides has lipofilic properties, therefore cleaning pesticides with water is not sufficient. Surfactant is required to increase washing off ability of water. Wash off ability of several surfactants circulated on the market i. e. SL, ML and A were investigated. The result showed that the wash off ability values of surfactants to DDT residues on fresh apples were 79.18 %, 75.19 % and 67.49 % for SL, A and ML respectively. The wash off effectiveness of surfactant A, SL and ML to -metrine were 85.29 %, 80.48 % and 64.47 % respectively.Key words: pesticide, cleaning efficiency surfactant, DDT, -metrine.