32 research outputs found
A QSAR Analysis of Flavone Derivatives of Antimalarial Compounds Based on PM3 Semi-Empirical Method
No full textSINTESIS SENY AWA (1)-N-(4-BENZILOKSI-3-METOKSIBENZIL)-1, 10- FENANTROLINIUM KLORIDA SEBAGAI ANTI MALARIA
No full textTelah dilakukan sintesis senyawa (1)-N-(4-benziloksi-3-metoksibenzil)-1,10- fenantrolinium klorida dari 1,1O-fenantrolin monohidrat dan 4-hidroksi- -metoksibenzaldehida (vanilin) sebagai bahan dasar. Pembuatan senyawa (1)-N-(4- benziloksi-3-metoksibenzil)-1,1O-fenantrolinium klorida melalui 4 tahap reaksi yaitu: (1) reaksi benzilasi terhadap senyawa 4-hidroksi-3-metoksibenzaldehida dilakukan menggunakan katalis sodium hidroksida yang ditambahkan secara perlahan-Iahan kemudian direfluks selama 2 jam. Hasil reaksi diperoleh senyawa 4-benziloksi-3- metoksibenzaldehida berupa padatan cok!at (t.I=61-62&de
SINTESIS SENYAWA t-KALKON BAHAN DASAR SENYAWA TABIR SURYA
Full text linkA novel method for the synthesis of t-chalcone as material start of sunscreen compounds through aldol condensation reaction was introduced using NaOH/EtOH as a catalyst and solvent. The structures of the t-chalcone of product were confirmed by IR, GC-MS and 1H-NMR spectrosfotomete
Quantitative Structure-Activity Relationship Analysis of Antimalarial Compound of Mangostin Derivatives Using Regression Linear Approach
No full textModeling of Benzimidazole Derivatives as Antimalarial Agents using QSAR Analysis
Full text linkIn this study, quantitative structure–activity relationship (QSAR) analysis was conducted on 20 homologous compounds of benzimidazole derivatives. The structures of the benzimidazole derivatives were optimized using the semiempirical Parameterized Model 3 method of HyperChem for Windows 8.0 to obtain 14 descriptors. Then, multiple linear regression (MLR) analysis was performed using the backward method. The results of the MLR analysis obtained four new QSAR equation models. Based on statistical criteria, model 1 was determined as the best QSAR equation model in predicting the theoretical IC50 values of the new benzimidazole derivatives. As many as 20 new compounds of benzimidazole derivatives were modeled, of which 13 new compounds (23, 24, 25, 26, 27, 28, 29, 30, 31, 37, 38, 39, and 40 compounds) were recommended for synthesis in the laboratory because these compounds of benzimidazole derivatives havethey theoretically had higher antimalarial activity than chloroquin
Synthesis and Antiplasmodial Activity of 2-(4-Methoxyphenyl)-4-Phenyl-1,10-Phenanthroline Derivative Compounds
No full textA unique of synthetic methods was employed to prepare 2-(4-methoxyphenyl)-4-phenyl-1,10-phenanthroline (5) derivatives from 4-methoxy-benzaldehyde (1), acetophenone (2), and 8-aminoquinoline (4) with aldol condensation and cyclization reactions. The derivatives were tested through antiplasmodial test. The synthesis of derivatives compound 5 was conducted in three steps. The 3-(4-methoxyphenyl)-1-phenylpropenone 3 was synthesized through aldol condensation of 1 and 2 which has a yield of 96.42%. The compound 5 was synthesized through cyclization of compound 4 and 3 with 84.55% yield. The derivative of compound 5 was synthesized from compound 5 using DMS and DES reagents which refluxed for 21 and 22 h, to produce (1)-N-methyl-9-(4-methoxyphenyl)-7-phenyl-1,10-phenanthrolinium sulfate (6) and (1)-N-ethyl-9-(4-methoxyphenyl)-7-phenyl-1,10-phenanthrolinium sulfate (7) with 91.42 and 86.36% yields, respectively. Results of in vitro testing of antiplasmodial activity of compound 5 derivatives (i.e., compound 6 and 7) against chloroquine-resistant P. falciparum FCR3 strain showed that compound 7 had higher antimalarial activity than compounds 5 and 6. Whereas, results of in vitro testing against chloroquine-sensitive P. falciparum D10 strain showed that compound 6 has higher antimalarial activity than compounds 5 and 7
Sintesis senyawa antimalaria (1)-N-Alkil-1,10-Fenantrolium dan 3-(2-Hidroksietil)-2-Metil-1,10-Fenantrolin4-OL
No full textQSAR Studies of Nitrobenzothiazole Derivatives as Antimalarial Agents
Full text linkQuantitative Structure and Activity Relationship (QSAR) analyses were carried out for a series of 13 nitrobenzothiazole derivatives as antimalarial compounds to find out the structural relationship of their antimalarial activities against the W2 Plasmodium falciparum strain. The electronic descriptors have been determined using the atomic net charges (q), dipole moment (μ), ELUMO, EHOMO, polarizability (α) and Log P. In addition, the descriptors were calculated through HyperChem for Windows 8.0 using the PM3 semi-empirical method. The antimalarial activities (IC50) were taken from literature [1]. Furthermore, the QSAR model was determined by multiple linear regression (MLR) approach, giving equation model of QSAR: Log IC50 = 41.483 + 54.812 (qC2) – 50.058 (qS3) + 416.766 (qC4) + 440.734 (qC5) – 754.213 (qC7) – 73.721 (qC8) + 246.715 (qC9) + 0.551 (μ) – 13.269 (EHOMO) – 3.404 (ELUMO) + 0.042 (α) + 0.107 (Log P). The most statistically significant QSAR model with correlation coefficients n = 13, (r) = 1.00, (r2) = 1.00, SE = 0, and PRESS = 3.40 were developed by MLR. Based on the model of the above QSAR equation 43 new nitrobenzothiazole derivatives were modeled and 24 of these compounds showed high antimalarial activity. It is recommended that these are synthesized for further investigation 4 new compounds (45, 49, 52 and 55) show equivalent activity to that achieved with chloroquine antimalarial drugs
Volatile Compounds Detected in Coconut Shell Liquid Smoke through Pyrolysis at a Fractioning Temperature of 350-420 C
Full text linkThis study evaluated the volatile components of liquid smoke from coconut shells obtained through the pyrolysis process at fraction 350-420 °C. The volatile compounds of liquid smoke from a coconut shell were analyzed using gas chromatography and mass spectrometry (GC-MS). Nineteen peaks were detected by GC-MS in the coconut shell liquid smoke, and 19 compounds also were identified. The volatile compounds were identified as follows based on their function group’s composition percentage: phenol (90.75%), carbonyl (3.71%), alcohol (1.81%), and benzene (3.73%), respectively. The liquid smoke contains a high ratio of phenol derivatives (90.75%) in volatile profile. The phenol derivatives were the major volatile compounds found in the coconut shell liquid smoke
Identifikasi Struktur Komponen Senyawa Kimia Kulit Batang Ketapang (Terminalia catappa L.)
Full text linkKetapang (Terminalia catappa L.) is a type of flowering plant that has been widely used by the community, especially in traditional medicine. This research aims to identify the chemical compound components of Ketapang bark using Virgin Coconut Oil (VCO) solvent. Research methods include making VCO, maceration extraction, solubility testing, identification of chemical compound components using FTIR and GC-MS. The mass of VCO is 744.32 grams (14.88% soaking). The mass of Ketapang bark extract weighed 183.88 grams (0.63% soaking). The solubility test shows that VCO and extracts are generally nonpolar. Identification results using FT-IR show that VCO has C-H, C=O and C-O groups, while ketapang bark extract has aliphatic –CH, C=O, C-O, C-OH, C-N and aromatic C-H groups. Identification using GC-MS showed that VCO had 112 peaks, among the 112 peaks that had a similarity index of 80% there were 14 peaks, while the ketapang bark extract had 190 peaks and 11 peaks had a similarity index. Thus, it can be concluded that the components of the VCO compound are decanoic acid, dodecanoic acid, tridecanoic acid, myristic acid, pentadecanoic acid, 2-monocaprin (2TMS derivative), palmitelaidic acid, palmitic acid, and stearic acid. Meanwhile, Ketapang stem bark extract contains heptadecanoic acid, (z) oleic acid, elaidic acid, 1-ethoxy-4'-methoxy-2,2'-binaptyl-1,4-dione, eikosan, 7-methyl-z-tetradeken- 1-ol-acetate, beta-alanine, sarcosine, 1-aminomethyl-cyclododecanol, and dodecanoic acid, 2,3-dihydroxypropyl ester.Ketapang (Terminalia catappa L.) merupakan jenis tumbuhan berbunga yang telah digunakan masyarakat secara luas khususnya dalam pengobatan tradisional. Penelitian ini bertujuan untuk mengidentifikasi komponen senyawa kimia kulit batang ketapang menggunakan pelarut Virgin Coconut Oil (VCO). Metode penelitian meliputi pembuatan VCO, ekstraksi maserasi, uji kelarutan, identifikasi komponen senyawa kimia menggunakan FTIR dan GC-MS. Massa VCO sebanyak 744,32 gram (rendamen 14,88%). Massa ekstrak kulit batang ketapang seberat 183,88 gram (rendamen 0,63%). Uji kelarutan menunjukkan VCO dan ekstrak secara umum bersifat nonpolar. Hasil identifikasi menggunakan FT-IR menunjukkan VCO memiliki gugus C-H, C=O dan C-O, sedangkan ekstrak kulit batang ketapang memiliki gugus –CH alifatik, C=O, C-O, C-OH, C-N, dan C-H aromatik. Identifikasi menggunakan GC-MS menunjukkan VCO memiliki 112 puncak, diantara 112 puncak yang memiliki indeks similaritas mencapai 80% sebanyak 14 puncak, sedangkan ekstrak kulit batang ketapang terdapat 190 puncak dan yang memiliki indeks similaritas sebanyak 11 puncak. Dengan demikian, dapat disimpulkan komponen senyawa VCO yaitu asam dekanoat, asam dodekanoat, asam tridekanoat, asam miristat, asam pentadekanoat, 2-monocaprin (2TMS derivative), asam palmitelaidat, asam palmitat, dan asam stearat. Sedangkan ektsrak kulit batang ketapang mengandung asam heptadekanoat, asam (z) oleat, asam elaidat, 1-etoksi-4’-metoksi-2,2’-binaptyl-1,4-dion, eikosan, 7-metil-z-tetradeken-1-ol-asetat, beta-alanin, sarkosin, 1-aminometil-siklododekanol, dan asam dodekanoat, 2,3-dihidroksipropil ester
