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INDONESIA
Indonesian Journal of Chemical Science
Published by Universitas Negeri Semarang
ISSN : 22526951     EISSN : 25026844     DOI : -
Core Subject : Science,
Chemistry Physics
Indonesian Journal of Chemical Science publishes basic research articles and conceptual of Chemistry, issued three (3) times a year, overall 10 articles per issued. To commemorate important events and agenda, may be issued a special edition that will include 10 articles in each issue.
Arjuna Subject : Kimia(semua kategori) - Kimia (Lain-Lain)
Articles 10 Documents
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Search results for , issue "Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science" : 10 Documents clear
In Silico Interaction Study of the Hydrazine Compound as an Antibody Drug Conjugate Linker Against Pertuzumab Ananda, Lintang Tri; Rizkita, Aden Dhana; Gibran , Syahrul Syah; Shapira, Shari Bella; Nour baety, Shelly Siti; Wafa, Shahibatul; Oksal, Efriyana
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Breast cancer can be initiated, one way or another, by overexpression of the HER-2 protein which can induce dimerization, resulting in metastasis in breast cancer cells. Pertuzumab is one of the methods used to treat metastatic breast cancer that is breast cancer cells that the cancer has spread to other parts of the body. Hydrazine is something hydro nitrogen compounds that has the formula N2H4 molecule. The hydrazine compound has chemical characteristics as a strong reducing agent because hydrazine plays a role as donor group hydrogen can reduce double bonds into single bonds through reaction hydrogenation. Research purposes This is o see the bond between Hydrazine as a linker with pertuzumab as an antibody for development of Antibody Drug Conjugate in silico with molecular docking. The docking method is used to know the conformation and free energy ties involved in the interaction between molecule (pertuzumab) and its ligand (hydrazine). In silico molecular docking was carried out with a number of stages such as ligand preparation, preparation of macromolecules, validation molecular docking method, docking hydrazine with pertuzumab protein and intermediate data analysis optimized hydrazine compound with which pertuzumab protein the lower mark energy bond so the stronger and stable the bond that occurs between hydrazine compound and pertuzumab protein . Obtained the result of docking is in the form of binding affinity from the results of addition of pertuzumab protein with the hydrazine ligand which is -6.8 which shows conformation formed stable or does not require great energy To do binding. Visualization results from complex molecule hydrazine compound against pertuzumab protein own identical confirmation on the part side active binding from pertuzumab protein macromolecules . The hydrazine compound can be bonded with pertuzumab and has potential as a new drug development in the targeting antibody drug conjugate breast cancer.
In Silico Study: Andrographolide Compounds and Their Derivatives as Antimalarials Targeted at PfENR Auli , Winni Nur; Ramadhani, Syanindita Lulu; Firgianti, Sinta Rani; Sigalingging, Yonathan Adi Nugroho; Hasnaussalim, Hamidah; Yuliana , Rita; Saputri, Syabina Sofa
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.6313

Abstract

Malaria is an infectious disease that poses a significant danger due to its potential to cause severe anemia. The malaria parasite comes from the genus Plasmodium, which can attack erythrocytes. In recent years, good target proteins have been discovered as antimalarials. The target protein is taken from the type II fatty acid biosynthesis pathway, the fatty acid specific to Plasmodium falciparum is Enoyl Acyl Carrier Protein Reductase (PfENR). This study aims to evaluate the antimalarial activity of the Andrographolide compound which targets PfENR using in silico as an alternative for developing new drugs. Evaluation of the Andrographolide compound was carried out in silico with Autodock Tools and Biovia Discovery Studio Visualizer, then compared between the native ligand and the target compound, and the compound with the best interaction was determined so that it could provide a maximum therapeutic effect on the target compound. This research shows that the Andrographiside compound has a lower binding affinity, compared to native ligan is  -5.94 kkal/mol and other compounds, namely -8.21 kkal/mol, so it has better bonding affinity, and the bond is reversible, making it suitable for developing new drugs. However, the Andrographiside compound still requires further molecular modifications to comply with Lipinski's rules.
In Silico Study of Secondary Metabolite in Asiatic Pennywort (Centella asiatica) as a Drug Compound for Blood Cancer  (Acute Lymphoblastic Leukemia (ALL)) Targeting JAK-2 Receptor Anjelina, Martina; Renaldi, Fahri; Shabira, Kalya Kama; Febriyanti, Selly Trianingrum; Wulandari, Rizky Prasiska; Nurdin, Halwa Aulia; Nuwarda, Rina Fajri
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.8946

Abstract

Acute Lymphoblastic Leukemia (ALL) is a type of cancer with clinical manifestations such as fever, pallor, bleeding, children appear lethargic, bone and joint pain, enlarged liver, spleen, and enlarged lymph. One of the causes of ALL is due to mutations in the JAK-2 receptor. The purpose of this In Silico study is to find new candidate compounds as ALL therapy in Asiatic Pennywort (Centella asiatica) plant by Lipinski’s RO5 analysis, ADME-Tox, pharmacophore modelling, and molecular docking. The results showed that luteolin can be declared as a lead compound in Asiatic Pennywort plant that has potential in the treatment of acute lymphoblastic leukemia due to its interaction with JAK-2 receptor with an inhibition constant of 0.23736 uM and binding energy of -9.04 kcal/mol. In addition, the predictions of Lipinski's RO5 and ADME-Tox luteolin also meet the requirements to be made into oral preparations and further research can be carried out.
In Silico Test of Active Compounds of Pomegranate Fruit (Punica granatum) Against Estrogen Receptor-α for Osteoporosis Anandawijaya, Spica Diani; Latifah, Nurul; Latifah, Ifa; Nugraha, Primadini Ayesha
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.8957

Abstract

Osteoporosis is a systemic bone disease characterized by decreased bone density, so bone breaks easily. In this study, the activity of the phytoestrogen compound content in pomegranates (Punica granatum) against estrogen alpha in Silico. The study aims to get new drug candidates for osteoporosis therapy. The method used is to dock the re-docking of the natural ligands of raloxifene and docking against the ligands of test compounds which are secondary metabolite compounds in pomegranates. The Gridbox used has coordinates x center : -2,079; y center : -30,746; z center : 22,813. The caffeic acid test compound has the best potential binding to the alpha estrogen receptor.
In Silico Study of Secondary Metabolite Compound from Noni fruit (Morinda citrifolia) as Potential Drug Candidates for Type 2 Diabetes Mellitus Targeting PPAR-γ Rasya Salma Fauziyyah; Stella Aurelia Huang; Apsari Maratus Sholehah; Tribuana Tungga Dewi; Rina Fajri Nuwarda
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.8966

Abstract

Diabetes type 2 is a chronic metabolic disorder characterized by an increase of blood sugar levels in the body due to insufficient insulin resistance. Noni (Morinda citrifolia L) is a medicinal plant that can be used as an alternative treatment for diabetes. One receptor involved in diabetes treatment is Peroxisome Proliferator-Activated Receptor Gamma (PPAR-γ), which plays a role in insulin sensitization in adipose tissue. This in silico study investigates the potential of noni fruit using Lipinski's Rule of Five (RO5) prediction, ADME-Tox prediction, and molecular docking to identify several metabolites with strong binding affinity to PPAR-γ. The results indicate that rutin violates Lipinski's Rule of Five and has an HIA value of 2.861176%, making it poorly absorbed orally and more suitable for non-oral formulations. The KI value of 4.19 µM and the amino acid interactions most similar to the natural ligand indicate that rutin shows a strong binding affinity to PPAR-γ, demonstrating its potential efficacy as an antidiabetic agent.
Antioxidant Candidates in Deep Eutectic Solvent Extract of Choline Chloride-Oxalic Acid from Sago Bark (Metroxylon sagu L. Rottb) Hamdani, Ulfah Zakiyah; Yanti, Rosmalah
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.14199

Abstract

Waste deposits from sago (Metroxylon sagu L. Rottb.) starch extraction from sago trunks in Palopo City, Luwu Regency, North Luwu Regency and East Luwu Regency which are part of the Tana Luwu region are quite abundant. Many studies on the utilization of liquid waste from this process have been published. In contrast, the utilization of solid waste has not been widely carried out. In addition, studies on the identification of compounds from the extraction of sago bark waste using environmentally friendly solvents such as deep eutectic solvent (DES) are still minimal. The DES used was DES Choline Chloride-Oxalic Acid with a mole ratio of 1:2. The success of DES synthesis was confirmed by FT-IR. Extraction was carried out using the sonication method for 30 minutes at 50 W, room temperature, with a ratio of 80 mesh sago bark to DES of 1:10 (g/ml). The extract was filtered with filter paper with a pore diameter of 2.5 µm. Screening of compounds in the filtrate through GC-MS analyses. DES was successfully synthesized while still showing the main functional groups. GC-MS analysis of the filtrate showed that there were 8.36% squalene-like compound; 5.37% n-hexadecanoic acid-like compound and other compounds (with solvent exception) contained ≤1%.
Synthesis Of Cellulose Acetate Based on Coconut Coir (Cocos nucifera L.) and I'ts Application on Bioplastic Fabrication Annisa Septa Cahyani; Samuel Budi Wardhana Kusuma
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.14214

Abstract

Indonesia sebagai negara tropis memiliki sumber daya alam yang melimpah, salah satunya yaitu tanaman kelapa (Cocos nucifera L.). Sabut kelapa merupakan produk samping dari tanaman kelapa yang memiliki berbagai manfaat. Pada penelitian ini diperoleh rendemen selulosa dari sabut kelapa sebesar 58,72%. Keberhasilan isolasi selulosa ditunjukan dengan munculnya puncak gugus fungsi O-H, C-H, dan C-O pada spektrum FTIR. Sintesis selulosa asetat telah dilakukan dengan memvariasikan perbandingan antara berat selulosa dan volume anhidrida asetat (1:10 dan 1:20) (b/v). Rendemen selulosa asetat hasil sintesis berturut-turut yaitu 30,44% dan 28,22%. Hasil sintesis menunjukan bahwa jenis selulosa asetat yang dihasilkan adalah selulosa monoasetat dengan derajat substitusi (DS) berturut-turut yaitu 0,48 dan 0,44. Keberhasilan sintesis selulosa asetat ditunjukan dengan munculnya puncak gugus fungsi O-H, C-H, C=O, dan C-O pada spektrum FTIR. Pada penelitian ini, selulosa asetat diaplikasikan dalam bioplastik dengan variasi konsentrasi 0%, 10%, 15%, 20%, dan 25% (b/b) dari berat tepung nasi aking. Aplikasi tersebut bertujuan untuk mengetahui pengaruh konsentrasi selulosa asetat terhadap sifat mekanik dan fisik bioplastik. Hasil analisis menunjukan bahwa penambahan konsentrasi selulosa asetat menghasilkan nilai tertinggi untuk kuat tarik sebesar 13,58 MPa, persen elongasi sebesar 3,66%, modulus elastisitas sebesar 9,64 MPa, dan mampu menahan air sebesar 49,90%. Berdasarkan hasil pengujian sifat mekanik, bioplastik berbasis selulosa asetat belum memenuhi standar bioplastik pada SNI-7188.7:2016.
Synthesis and Characterization of Nanoherbal Ethanol Extract of Sambung Nyawa Leaves (Gynura procumbens Lour [Merr]) Septiani, Tri Wahyu Septiani; Sutoyo Suyatno
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.16255

Abstract

Tanaman sambung nyawa (Gynura procumbensi) merupakan salah satu tanaman obat tradisional Indonesia yang telah banyak dimanfaatkan masyarakat sebagai antioksidan, antiinflamasi, antikanker, antidiabet, antihipertensi dan antibakteri. Senyawa metabolit sekunder daun sambung nyawa dalam bentuk ekstrak memiliki kelemahan yaitu bioavaibilitas kurang baik serta mudah mengalami degradasi. Untuk mengatasi kelemahan tersebut maka dibuat sediaan dalam bentuk nanoherbal. Tujuan penelitian ini adalah untuk mensintesis nanoherbal ekstrak etanol daun sambung nyawa dan menetukan karakteristiknya. Nanoherbal disintesis dengan metode gelasi ionik, menggunakan polimer alginat  dengan reagen pengikat silang kalsium klorida (CaCl2 ).  Sintesis nanoherbal ekstrak etanol daun sambung nyawa dilakukan dengan membuat 4 variasi konsentrasi alginat dan CaCl2 yaitu 1:20;  1:10; 1:5; dan 1:2,5. Karakterisasi nanoherbal dilakukan menggunakan spektroskopi inframerah, PSA, potensial zeta, dan SEM.  Hasil penelitian menunjukkan bahwa formula optimum untuk sintesis nanoherbal adalah perbandingan konsentrasi alginat dan CaCl2  1 : 20. Spektrum IR nanoherbal menunjukkan adanya gugus O-H, C-H alkil, dan COO-. Nanoherbal hasil sintesis memiliki ukuran partikel 101 nm dan potensial zeta sebesar +43,3 mV.  Dengan demikian nanoherbal hasil sintesis bersifat stabil dari proses agregasi. 
In Silico Study of Bioactive Compounds from Cinchona Bark as Potential Antimalarial Against Human Glucokinase Receptor Kezia Stella Carmencinta Salvi; Alifa Dhia Shalima; Alya Novia Hanifa; Johnessa Cung; Bagus Adhinagoro; Shela Salsabila; Muchtaridi
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.16502

Abstract

Malaria remains a significant health concern in Indonesia, with endemic regions reporting persistent transmission of Plasmodium parasites. This study explores the potential of compounds derived from Cinchona succirubra, traditionally known for its antimalarial properties, using a comprehensive in silico approach. Utilizing Lipinski’s prediction, ADME-Tox, pharmacophore screening, and molecular docking techniques, we assessed the pharmacological potential of its compounds against glucokinase enzymes. Through 10 alkaloid compounds taken from the bark of the cinchona tree, among which the one that gives the best results in its role on the receptor is mefloquine. The result showed that mefloquine had a BE of -3.95 kcal/mol, an inhibition constant of 1.27 μM, but no interactions with any important amino acid residues. The HIA and CaCo-2 values were 93.737% and 22.686 nm/sec, respectively, whereas the PPB and BBB values were 74.270% and 74.270%. Neither is this substance carcinogenic or mutagenic. Low binding energy and the most favored interaction with the receptor were observed for mefloquine. Thus, mefloquine exhibits potential as a prospective glucokinase inhibitor.
Processing of Tofu industrial wastewater by electrocoagulation method using aluminum (Al) electrode at various electrical current and contact time Rachmat, Addy; Fatma, Fatma; Pratama, Nisa Manora; Musifa, Eva
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.18787

Abstract

This research aims to determine the effect of varying voltage and contact time on reducing levels on Chemical Oxygen Demand (COD), Total Suspended Solids (TSS), Total Dissolved Solids (TDS) and ammonia as well as increasing pH values ​​in tofu industrial wastewater by electrocoagulation using Aluminum electrodes. There were 4 variations of voltage (10,20,30,4 0A) and 5 variations of contact time (30,60,90,120,150 minutes). Analysis of COD levels and ammonia levels was carried out using a UV-Vis spectrophotometer, analysis of TSS levels gravimetrically using Whatman filter paper No. 42, analysis of TDS levels with gravimetrically, and analysis of pH values ​​by a pH meter. The best results were obtained from treatment at voltage of 40 A and a contact time of 150 minutes with the highest efficiency of reducing COD, TSS, TDS, ammonia levels respectively at 90.35; 92; 66; 85% and the highest increase in pH value was 108%. The results of the diversity analysis or Tukey's advanced test showed that at the 5% level each treatment had a significant effect on reducing COD, TSS, TDS and ammonia levels as well as increasing the pH value. Chemical kinetics analysis of the reduction in COD and TSS levels showed results that were close to first orde linear and obtained R2 and k values ​​respectively of (0.9904; 0.0164); (0.9952; 0.0182) at voltage variation of 40 A

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