Stannum : Jurnal Sains dan Terapan Kimia

Phytochemical Analysis and Study of Molecular Docking of Leucaena leucocephala Leave Extract as Anticancer

Mokhamat Ariefin, Syarpin syarpin, Bibit Harianto — Wed, 01 May 2024 07:53:58 +0000

Cancer is a disease caused by unnatural cell growth in the body. It has become a disease with a high mortality rate in the world. Several therapies have been developed for cancer treatment, one of which is the exploration of the bioactivity of compounds contained in potentially medicinal plants. One of the potential medicinal plants that grows in Central Kalimantan province is L. leucocephala. In this study, the potential of L. leucocephala leaf extract was explored through phytochemical tests and molecular docking approaches. Based on the phytochemical test, it was found that L. leucocephala leaf extract contains flavonoids, terpenoids, and steroids. Based on the test results, a literature study was conducted on the flavonoids and terpenoids content in L. leucocepala leaf extract and molecular docking studies were conducted. Seven dominant compounds of L. leucocephala consisting of flavonoids and terpenoids were tested for their potential as inhibitors of receptor tyrosine kinase. The molecular docking results showed that flavonoid ligands (1-6) had more negative binding affinity values compared to the drug sunitinib, a common drug for cancer therapy, while terpenoid ligand (7) had less favorable binding energy. Based on the Lipinski rule of five test, ligands 1, 2, 4, and 5 fulfill all the criteria given as drug candidates, while ligands 3, 6, and 7 only fulfill 3 out of 5 criteria. Based on Lipinski rule of five and molecular docking, ligand 1,2,4, and 5 has potential to be anticancer.

The Synthesis of Zinc Oxide (ZnO) Nanoparticles Using Extract Tomato (Solanum lycopersicum) As Capping Agent and Its Antioxidant Activity

Wed, 01 May 2024 08:56:48 +0000

Zinc oxide (ZnO) nanoparticles are one of the most widely studied nanoparticles for various applications and other alternatives because of their unique properties. The uniqueness of these properties depends on the technique used to synthesize ZnO nanoparticles. This study aims to synthesize ZnO nanoparticles using tomato crude extract as a capping agent and to analyze the antioxidant activity of ZnO nanoparticles using DPPH and ascorbic acid as standard solutions. The synthesized powder of ZnO nanoparticles was characterized using XRD and SEM. The results obtained for the crystal size of the capping agent and without the capping agent were 20.597 nm and 24.717 nm according to JCPDS No. 00-036-1451. The particle size of ZnO using tomato extract as a capping agent is 43.325 nm which indicates that the particles are in the nanosize range and are spherical in shape. The IC50 yield of ZnO nanoparticles using a capping agent was 133.9623 ppm which indicated that ZnO nanoparticles had moderate antioxidant activity.

Modelling of Flavanoid Derivatives from Leucaena leucocephala as Anti-UV

Rokiy Alfanaar, Tety Wahyuningsih Manurung, Mokhamat Ariefin — Wed, 01 May 2024 13:55:21 +0000

While UV light has benefits for life, excessive exposure to UV light also has negative effects on humans. Examples of the negative effects of UV exposure include cancer. Therefore, the exploration for materials that can be used as anti-UV continues to grow. One of them is extract from Leucaena leucocephala leaves. To study the potential of a compound as anti-UV, one method can use a molecular modeling approach using the semi-empirical method. Based on this, 8 flavone-derived compounds contained in L. leucocephala leaf extract were modeled with a semi-empirical approach using the PM3 method, and electronic-transition was calculated using ZINDO/S. The geometry optimization results showed that the bond length between carbon atoms in flavonoid tururnans did not change significantly with the difference in functional groups. However, there is a significant difference in the dihedral angle of the compound due to the repulsion of functional groups. The results of the electronic transition calculation showed that all flavonoid derivatives 1-8 are active in the UV A, UV B, and UV C regions. So it can be said that flavones 1-8 have potential as anti-UV. In addition, the energy level of HOMO-LUMO compounds was also calculated. Flavonoid 1 has the smallest Eg while flavonoid 8 has the largest Eg

Analysis Of Caffeine In Packaged Drinks Using Thin Layer Chromatography (TLC) and Spectrophotometry Method

Wed, 01 May 2024 15:22:09 +0000

Caffeine is a natural alkaloid compound found in plants in the leaves, seeds and fruit. The decision of the Food and Drug Supervisory Agency regarding provisions for supervision of supplements in Chapter VIII Article 18 paragraph two states that caffeine levels must not exceed 150 mg/day. The aim of this research was to find out caffeine level in energy beverages. This research method applied the UV-Vis spectrophotometry method and the TLC method. The maximum wavelength obtained in this study was 272.55 nm and the linear results and correlation coefficient obtained were obtained. The linearity value obtained at y= 0.0381x + 0.3285 with the correlation equation R²= 0.9389. Caffeine levels obtained from “brand A” energy drink powder samples for first replicate at 49.59 mg/g, second replicate was 48.78 mg/g, third replicate was 47.15 mg/g, and “brand B” sample for first replicate was 31.5625 mg/g, second replicate at 32.375 mg/g. The caffeine levels obtained in the “brand C” sample from first replicate at 59.43 mg/g, second replicate was 60.28 mg/g, and third replicate was 60.09 mg/g. The results of the standard Rf value for caffeine standard were 0.7, the “brand A” energy drink powder sample was 0.75, the “brand B” sample was 0.75 and the “brand C” was 0.75. The conclusion from this research was that the maximum wavelength was 272.55 nm, which was slightly different from the theoretical maximum wavelength of pure caffeine, namely 273 nm. The caffeine levels obtained for samples of energy drink powder from brands A and B met the requirements because it was <50 mg/package and brand C did not meet the requirements because it was >50mg/package. The Rf value results are satisfactory because they were at range 0.2-0.8.

In Silico Study of Pomegranate Peel Polyphenols as Breast Anticancer

khoirotul ummah — Wed, 01 May 2024 15:57:48 +0000

Breast cancer is one of the causes of women’s death. Estrogen-α receptors are one of the targets for breast cancer treatment because it plays a role in cancer cell proliferation. Several studies have stated that Flavonoid compounds have high activity in inhibiting the growth of breast cancer cells. This study aims to inhibit polyphenolic compounds in pomegranate peel (gallic acid, cafeic acid, ellagic acid, and chlorogenic acid) against estrogen receptors-α through molecular docking. The 3D structures of the polyphenolic compounds were obtained from the PubChem database and the estrogen-α receptors from the Protein Data Base. Molecular docking simulations were carried out using AutoDock Vina and supporting software such as Biovia Discovery Studio Client 4.1, AutoDockTools 1.5.6, PyMOL, and LigPlot. The results showed that the four polyphenolic compounds had a better potential to inhibit estrogen-α receptors than tamoxifen. The inhibitory potential is evidenced by the low affinity of ligand-protein binding energy (approximately -5.4 to -9.0 kcal/mol). The phenol group of polyphenolic compounds can strengthen the ligand-protein interactions through hydrogen bonds with the active site of ER-ꭤ proteins. Hydrophobic and π-π stacking interactions between polyphenolic and the active site of proteins also support the inhibition potential of polyphenolic compounds. The conclusion is that the polyphenolic compounds in pomegranate peel have the potential as breast anticancers.

Analysis of Diazo Quinolinone Complexes with Various Metal Ions

Wed, 01 May 2024 16:17:16 +0000

Quinolones are heterocyclic compounds that are important in medicine and materials for DSSCs or OLEDs. One thing that is rarely studied is the ability to detect metal ions. Diazo groups have an important role in forming complexes with metal ions. This research aims to obtain initial information regarding the metal detection capabilities of diazo quinolinone compounds. The compound 7-[(2,4-dihydroxyphenyl)diazenyl]-4-methyl-2-quinolinone is the test target. Tests were carried out with various metal ions in MeOH. Next, the wavelength of the complex was determined using a UV-Vis spectrophotometer. The results of complex analysis of Compound 2 with various metal ions show the potential to be an indication of the presence of metal ions.