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The Journal of Pure and Applied Chemistry Research
Published by Universitas Brawijaya
ISSN : 23024690     EISSN : 25410733     DOI : http://dx.doi.org/10.21776/ub.jpacr
Core Subject : Health, Science, Engineering,
Chemical Engineering, Chemistry & Bioengineering Chemistry Materials Science & Nanotechnology Medicine & Pharmacology
The Journal of Pure and Applied Chemistry Research focuses in publishing research articles in the field of Chemistry and Applied Chemistry. The target is in exploring, investigating, and developing chemicals sources from local and/or Indonesian to increase the value. Scope of the journal is organic chemistry, analytical chemistry, inorganic chemistry, biochemistry, and physical chemistry. Included the topic also organic chemistry natural product, theoretical and computational chemistry.
Arjuna Subject : Kimia(semua kategori) - Kimia (Lain-Lain)
Articles 4 Documents
 1 
Search results for , issue "Vol 11, No 2 (2022): Edition May-August 2022" : 4 Documents clear
Novel Antimalarial Drug Screening Based on Methyl Eugenol, Cinnamaldehyde, and Thiosemicarbazone with Cysteine Protease Inhibition: In Silico Molecular Docking, Molecular Dynamics, and ADMET Studies Lucy Arianie; Feri Eko Hermanto; Elvina Dhiaul Iftitah; Warsito Warsito; Widodo Widodo
The Journal of Pure and Applied Chemistry Research Vol 11, No 2 (2022): Edition May-August 2022
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2022.011.02.652

Abstract

Plasmodium falciparum malaria contributes to significant global diseases. Computer-aided drug design, screening, and discovery were used to analyze a novel series of Methyl Eugenol Benzaldehyde Thiosemicarbazone (MEBThi) and Methyl Eugenol Cinnamaldehyde Thiosemicarbazone (MECThi) derivatives for malaria falciparum inhibition. This present study showed that 16 molecules from 28 of MEBThi and MECThi have affinities and interaction with active-site residues of cysteine protease, a key player in erythrocyte proliferation of P. falciparum. 13-MECThi demonstrates the best binding affinity at ˗8.0 kcal/mol while co-drug ˗5.6 kcal/mol. Physicochemical and pharmacokinetic assays of 13- MECThi have also revealed this potent compound. Toxicity analysis shows that 13-MECThi does not have mutagenicity and carcinogenicity characters, whereas co-drug has mutagenicity probability. The molecular dynamic evaluation illustrated that the 13-MECThi complex has higher Root Mean Square Deviation (RMSD) values, indicating its structure was more flexible than the chloroquine complex. Root Mean Square Fluctuation (RMSF) complex of receptor and 13-MECThi has no fundamental differences with chloroquine complex. This designed compound should be considered a falciparum antimalarial drug.
Study of Xylose as Product Inhibitor in Xylanase from Aspergillus niger, Basillus subtilis, and Tricodherma reesei: Insilico and Experimental Review Approach Sigit Hadiantoro; Dyah Ratna Wulan; Amiruz Zahidin; Yanty Maryanty
The Journal of Pure and Applied Chemistry Research Vol 11, No 2 (2022): Edition May-August 2022
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2022.011.02.639

Abstract

Bioinformatics is useful for solving molecular biology problems computationally. This computational chemistry has the advantage of being safe, free from chemical waste, secure, cost-effective, and can shorten research time. The issues that arise can be in the form of basic things such as solving enzyme mechanisms, protein metabolism, or identifying microbes. Degradation of the xylanase enzyme using some microorganisms. They are Aspergillus niger, Bacillus subtilis, and Thricodherma reesei on lignocellulose bonds. Lignocellulose consists of lignin, cellulose, and hemicellulose. Cellulose and hemicellulose can have used to produce new products such as bio-based products. To predict the optimum conditions for this enzymatic reaction has used bioinformatics applications has used through substrate enzymes obtained from protein data banks. The purpose of this study was to determine the optimum conditions for obtaining xylanase enzymes from the microorganisms Aspergillus niger, Bacillus subtilis, and Thricodherma reesei by bioinformatics (in silico). This research was conducted in bioinformatics using a database from the RCSB Protein Data Bank and PubChem. The programs used to see the interaction between substrate enzymes in this study are PyMol, PyRx, and LigPlot. The best conditions based on the results of bioinformatics simulations will form the basis for producing xylanases on a laboratory scale. In this study, the results of interaction data between Bacillus subtilis and D-xylose, which have a binding affinity value of -5.2 kcal/mol.  Aspergillus niger with D-xylose, which has a binding affinity value of -5.1 kcal/mol, Tricodherma reesei with D-xylose, which has binding affinity value -4.3 kcal/mol.
Anion Effect and Ligand Preference in the Precipitation of Ni(II) Complex from Methanolic Solution: Case of Tartrate vs Pyrazine Yenni Finisia; Siti Mutrofin; Yuniar Ponco Prananto
The Journal of Pure and Applied Chemistry Research Vol 11, No 2 (2022): Edition May-August 2022
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2022.011.02.670

Abstract

This research aims to incorporate pyrazine in the synthesis of Ni(II)-tartrate-pyrazine metal-organic frameworks or Ni(II)-T-P MOF as candidates of porous material. Synthesis of the targeted MOF was conducted at room temperature in a methanolic solution by mixing Ni(II) solution, L-tartaric acid (T), and pyrazine (P) solutions sequentially in various molar ratios (Ni(II):T:P = 1:1:0; 1:0:2; 1:2:2; and 1:2:4) using two different Ni(II) salts (chloride and nitrate). Solid products were characterized by infrared spectroscopy, qualitative anion identification test, melting point test, and scanning electron microscopy. The result shows that type of nickel salt affects the precipitation of Ni(II) complex, in which pale blue solids were precipitated out only from the chloride reactions (1:0:2, 1:2:2, and 1:2:4). IR and SEM analyses from the 1:2:2 and 1:2:4 reactions show the identical result as also shown by the 1:0:2 reaction, whereas qualitative anion identification test result suggests that the chloride is uncoordinated to the Ni(II). The targeted Ni(II)-T-P is unsuccessfully obtained, instead, the product is proposed to be [Ni(pyrazine)x(H2O)(6-x)]Cl2. although the tartaric acid was doubled and firstly reacted with the Ni(II), the pyrazine still has a higher preference to coordinate to the Ni(II) center than the tartrate ligand.
Effect of Solvent Type and Germination Time on The Level of Free Amino Acid and Peptides of Germinated Pigeon Pea (Cajanus cajan (L.) Millsp) Extract Ketut Ratnayani; Ni Wayan Wisaniyasa; Ni Putu Wiwik Oktayuni
The Journal of Pure and Applied Chemistry Research Vol 11, No 2 (2022): Edition May-August 2022
Publisher : Chemistry Department, The University of Brawijaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21776/ub.jpacr.2022.011.02.672

Abstract

Germination can activate the degradation of storage protein in legumes releasing peptides and free amino acids for seed growth. These compounds have many benefits in many fields, especially in food and health. This study aimed to determine the effect of solvent type and germination time on the level of free amino acids (FAA) and the level of peptides (MW < 10 kDa) of germinated pigeon pea extract. The extraction of free amino acids and the dissolved protein from germinated pigeon pea flour was carried out using two kinds of solvents, namely water, and 0.1 N HCl. The variation of germination times of pigeon pea seeds was carried out at 12, 24, 36, 48, 60, 72, 84, and 96 hours. The level of FAA was determined spectrophotometrically using the ninhydrin method after the deproteination step, while the level of peptides was determined spectrophotometrically using the biuret method. The results showed that using 0.1 N HCl as a solvent produced a higher level of FAA and peptides in the extract than using water. The increase of germination time can increase the level of FAA with the peak FAA level achieved on 36 hours. The increase of germination time can increase the level of peptides with the peak of peptides level achieved on 84 hours of germination times. These results showed that seed germination is a potential method for producing free amino acids and peptides which accumulate at a specific time.

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