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All Journal Farmasains : Jurnal Farmasi dan Ilmu Kesehatan Journal of Food and Pharmaceutical Science VALENSI JURNAL KIMIA SAINS DAN APLIKASI Pharmaciana: Jurnal Kefarmasian Biology, Medicine, & Natural Product Chemistry Biopropal Industri Journal of Islamic Pharmacy JURNAL FARMASI DAN ILMU KEFARMASIAN INDONESIA Chimica et Natura Acta ALCHEMY Jurnal Penelitian Kimia JMM (Jurnal Masyarakat Mandiri) Journal of Pharmacopolium MATAPPA: Jurnal Pengabdian Kepada Masyarakat Jurnal Inovasi Hasil Pengabdian Masyarakat (JIPEMAS) Jurnal Kreativitas PKM Molekul: Jurnal Ilmiah Kimia Jurnal Ilmu Kefarmasian Indonesia Jurnal Farmasi Sandi Karsa Kumawula: Jurnal Pengabdian Kepada Masyarakat Jurnal Analis Farmasi Pharmacoscript Jurnal Ilmiah Farmako Bahari Jurnal Farmagazine Agrinimal Jurnal Ilmu Ternak dan Tanaman Jurnal Farmasi dan Sains Indonesia (JFSI) JAF (Jurnal Analis Farmasi) JIFI (Jurnal Ilmiah Farmasi Imelda) Jurnal Riset Rumpun Ilmu Kesehatan (JURRIKES) Jurnal Pengabdian Pada Masyarakat Media Informasi Journal of Food and Pharmaceutical Sciences Pharmaceutical Science Journal Prosiding Seminar Nasional Unimus
Richa Mardianingrum
Universitas Perjuangan Tasikmalaya
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Synthesis and Computational Study of Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) as Anticancer Candidate Ruswanto Ruswanto; Nisa Uswatun Khasanah; Gatut Ari Wardani; Richa Mardianingrum
Jurnal Kimia Sains dan Aplikasi Vol 26, No 7 (2023): Volume 26 Issue 7 Year 2023
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.26.7.238-248

Abstract

Cancer is a disease characterized by cells forming abnormally so that a buildup can cause lumps. Drug compounds used for anticancer treatment by chemotherapy become a severe problem because they have dangerous side effects and can affect patient’s quality of life. This study aims to discover new drug compounds with lowered toxicity effects. This was achieved by modifying their structures through synthesis, characterization, and estimating the interactions of the synthesized compounds with specific target receptors, utilizing a docking method. The result obtained was a synthesis yield of 36.2%. The characterization of complex compounds was characterized by the presence of a maximum wavelength of 273 nm and a molecular weight of 652 g/mmol, indicating the absorption of Co-O and Co-S at respective wavenumbers of 498 cm-1 and 604 cm- 1. The docking results showed that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex had the best activity on human estrogen receptor alpha (hER alpha) with a binding affinity value of - 9.40 kcal/mol and an inhibition constant of 0.129 M, which was lower than the comparison compound (cisplatin) and had a better pharmacokinetic profile than cisplatin. This study shows that the Bis-(1-(3-Chlorobenzoyl)-3-Phenylthiourea) Cobalt (III) complex is predicted to have potential as an anticancer candidate.
Screening Of C14-Urea Tetrandrine Derivatives From Herbal Vine (Stephania Tetrandra) As Candidates In Silico Anti-Cancer Leukimia Richa Mardianingrum; Mia Nurfazriah; Nur Aji
Media Informasi Vol. 19 No. 2 (2023): November
Publisher : Poltekkes Kemenkes Tasikmalaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37160/mijournal.v19i2.121

Abstract

Kanker darah (leukimia) merupakan kanker yang merusak darah dan sumsum tulang dimana sel-sel darah diproduksi. Sebagian besar penanganan dan pengobatan kanker leukimia dilakukan dengan cara kemoterapi. Salah satu obat yang digunakan yaitu ibrutinib (Imbruvica®). Ibrutinib efektif untuk pengobatan Leukimia Limfositik Kronis (LLK), namun apabila berlangsung selama bertahun-tahun pengobatan tersebut dapat menimbulkan efek merugikan jangka panjang. Tujuan dari penelitian ini adalah untuk mencari kandidat bahan obat dari senyawa turunan C14-urea tetrandrin terhadap reseptor antikanker leukimia (1OPJ) secara in silico. Penelitian ini dilakukan secara in silico diantaranya skrining toksisitas, farmakokinetik dan Lipinski rule of five, setelah dilakukan skrining dilanjutkan dengan penambatan molekul (docking) dan simulasi dinamika molekular. Dari 24 senyawa turunan diperoleh 7 senyawa lolos skrining (tetra1, tetra4, tetra5, tetra6, tetra7, tetra23, dan tetra24) sehingga diperoleh perhitungan energi total kompleks (MM-GBSA) yang paling kecil terdapat pada senyawa tetra6 dengan nilai sebesar -68,82 kkal/mol, yang mana nilai ini lebih kecil dan stabil jika dibandingkan dengan kontrol positif (ibrutnib) dengan nilai -30,74 kkal/mol. Maka dapat disimpulkan semyawa tetra6 memiliki aktivitas biologis terhadap reseptor antikanker leukimia (1OPJ).
Synthesis, Characterization and Molecular Docking of Bis-(1-(2,4-dichlorobenzoyl)-3-methylthiourea) Iron (III) Complex as Anticancer Candidate Ruswanto Ruswanto; Feri Sandria; Winda Trisna Wulandari; Richa Mardianingrum
Jurnal Kimia Sains dan Aplikasi Vol 27, No 6 (2024): Volume 27 Issue 6 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.6.258-264

Abstract

The Bis-(1-(2,4-dichlorobenzoyl)-3-methylthiourea) iron (III) complex has been synthesized from the reaction between 1-(2,4-dichlorobenzoyl)-3-methylthiourea and Fe (III) metal ion by reflux method with ethanol solvent at a temperature of 75°C for 7 hours. It was characterized by a hot stage microscope (HSM), UV-Vis, FT-IR, and mass spectroscopy. The % yield of the synthesis result was 97.58%. From the docking study on the ribonucleotide reductase enzyme, the binding affinity value was -7.76 kcal/mol, and the inhibition constant was 2.11 mM. The Bis-(1-(2,4-dichlorobenzoyl)-3 methylthiourea) iron (III) complex compounds can be synthesized and predicted as anticancer candidates.
Pyrazine and Furan Derivative Activity Prediction on Type 2 Diabetic Mellitus: In silico Study Richa Mardianingrum; Ai Teni Siti Robi`ah; Susanti Susanti; Ruswanto Ruswanto
Jurnal Kimia Sains dan Aplikasi Vol 27, No 5 (2024): Volume 27 Issue 5 Year 2024
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14710/jksa.27.5.216-225

Abstract

Diabetes Mellitus (DM) is a chronic disease that occurs when the pancreas does not produce enough insulin, or the body cannot use insulin effectively. Type 2 DM treatment can be done using antidiabetic drugs, but the continuous use of synthetic drugs will cause side effects. Empirically, the people of Nias Indonesia use palm juice (Arenga pinnata Merr.) as an antidiabetic, which can reduce blood glucose levels. This study aimed to find the active compounds in palm juice that can potentially be an antidiabetic type 2 using an in silico approach. The methods used were toxicity screening, profile pharmacokinetics, drug scanning, docking, and molecular dynamics simulation. Screening, molecular docking, and molecular dynamics of 30 compounds generated from pyrazine and furan revealed that two compounds, PF 16 and PF 30, can bind to receptors and produce lower ∆G values than metformin HCl. Molecular dynamics simulation results using the MM-GBSA calculation method showed that the PF 16 compound was more selective than the 2PDY (aldose reductase) with a value of -39.23 kcal/mol, while compound PF 30 was more selective to 1Z89 (aldose reductase) with a value of -7.36 kcal/mol. It can be concluded that the level of affinity of the PF 30 compound to the 1Z89 receptor and the PF 16 compound to the 2PDY were predicted to have the potential as antidiabetic (DM type 2).
Computational Studies of Thiourea Derivatives as Anticancer Candidates through Inhibition of Sirtuin-1 (SIRT1) Ruswanto Ruswanto; Richa Mardianingrum; Arry Yanuar
Jurnal Kimia Sains dan Aplikasi Vol 25, No 3 (2022): Volume 25 Issue 3 Year 2022
Publisher : Chemistry Department, Faculty of Sciences and Mathematics, Diponegoro University

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (1667.479 KB) | DOI: 10.14710/jksa.25.3.87-96

Abstract

Cancer is a disease that starts from the uncontrolled growth of abnormal cells in the organs or tissues of the body, which is the second leading cause of death in the world. One of the targets in discovering and developing anticancer drugs is Sirtuin-1. SIRT1 can act as a tumor suppressor or tumor promoter depending on its target in a particular signalling pathway or on particular cancer. This study aimed to study the interaction of a thiourea derivative with SIRT1 (PDB ID:4I5I) through its inhibition of histone deacetylase. Research has been carried out in silico with molecular docking (MGLTools.1.5.6) and molecular dynamics (Desmond 2019) of three thiourea derivatives to the receptor. In addition, pharmacokinetic parameters, toxicity, and selection of Lipinski's Rule of Five were also tested. Molecular docking results showed that compound b ([2-(methylcarbamothioylcarbamoyl)phenyl]benzoate) had the lowest ∆G value of −9.29 kcal/mol with a KI value of 0.156 µM compared to other thiourea derivatives and was proven by molecular dynamics tests for 30 ns and amino acids that play an active role in the interaction include the residue PheA:297. In terms of pharmacokinetics and toxicity, compound b is better than natural ligands. Compound b is predicted to be used as an anticancer candidate through further research.
UJI PENENTUAN NILAI SPF (Sun Protection Factor) PADA SEDIAAN EMULGEL EKSTRAK KULIT BUAH MANGGIS (Garcinia mangostana L.) SEBAGAI TABIR SURYA Nurlaila, Putri Saniah; Makiyatuzahro, Dede Avissa; Kuncoro, Aditiya; Mardianingrum, Richa
Jurnal Ilmiah Farmako Bahari Vol 15, No 2 (2024): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v15i2.3187

Abstract

Salah satu produk perawatan kulit yang melindungi dari sinar UV adalah tabir surya. Kulit Manggis, yang kaya akan senyawa antioksidan seperti turunan benzofenon, dapat diformulasikan menjadi tabir surya dalam bentuk emulgel untuk meningkatkan kenyamanan dan efektivitas penggunaan. Evaluasi sifat fisik dari emulgel yang mengandung ekstrak etanol 96% Kulit Manggis (Garcinia mangostana L.) dengan berbagai konsentrasi dilakukan untuk menentukan nilai Sun Protection Factor (SPF) menggunakan spektrofotometri UV-Vis. Penelitian ini dilakukan dengan metode eksperimental, dimulai dari ekstraksi kulit buah Manggis menggunakan metode maserasi, diikuti dengan pembuatan formulasi emulgel, dan penentuan SPF secara in vitro berdasarkan metode perhitungan yang dikembangkan oleh Mansur dan A.J. Petro. Hasil uji sifat fisik sediaan emulgel yang terdiri dari Uji organoleptis dan homogenitas, Uji pH, Uji Viskositas memenuhi persyaratan sediaan emulgel yang baik. Hasil penelitian menunjukkan adanya SPF (Sun Protection Factor) dengan konsentrasi 2% sebesar 19,366 SPF, konsentrasi 4 % sebesar 19,906 SPF, konsentrasi 6 % sebesar 26,440 SPF. Dapat disimpulkan sediaan emulgel ekstrak kulit  Manggis mampu sebagai agen tabir surya yang memiliki nilai SPF (Sun Protection Factor) dengan kategori proteksi ultra..
SUNSERUM WAJAH SARI RIMPANG TEMU GIRING (Curcuma heyneana) TERFERMENTASI Lactobacillus bulgaricus Andriani, Irma; Mardianingrum, Richa; Susanti
JIFI (Jurnal Ilmiah Farmasi Imelda) Vol. 7 No. 1 (2023): JIFI (Jurnal Ilmiah Farmasi Imelda)
Publisher : Universitas Imelda Medan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52943/jifarmasi.v7i1.1491

Abstract

Long-term sun exposure can cause a variety of skin disorders, including sunburn and skin cancer. Sunscreen products containing antioxidants can help to prevent unwanted effects and protect the skin from free radicals. The rhizome of sleigh meeting (Curcuma heyneana) has chemicals 1,4- napthalenedione, 2-hydroxy-3-(-2-methyl-prophenyl), or other names Norlapachol, which has the potential as a suya screen and has strong antioxidant action. The study's goal is to see if the juice of fermented rhizome of Lactobacillus bulgaricus can be created as a sun serum face preparation, and then compare the value of antioxidant activity and sunscreen. Making fresh juice, fermented juice, phytochemical screening, preparation making, preparation evaluation, and SPF test are all part of the procedure. creating fresh juice, fermented juice, phytochemical screening, creating preparations, evaluating preparations, in-vitro SPF testing using a UV-Vis spectrophotometer, and antioxidant testing with the DPPH (2,2-Dyphenyl-1- Pycrylhydrazyl) method are all part of the approach. SPF F1 test value: 27.40 (ultra protected); F2: 27.84 (ultra protected); antioxidant activity test results: the IC50 value of fresh juice is 15.92 ppm (very strong); fermented juice is 11.02 ppm (very strong); and all preparation evaluations met the requirements according to the test standards. According to the findings, fresh and fermented ginger rhizome juice can be prepared as a sunscreen and antioxidant-rich facial sun serum preparation.
Kajian Dari Senyawa Umbi Bawang Putih (Allium sativum L.) terhadap Interaksi Aktif sebagai Analgetik-Antiinflamasi Secara in Silico Monikasari, Hesti; Mardianingrum, Richa; Bachtiar, Kamiel Roesman
Jurnal Farmasi Sandi Karsa Vol 9 No 2 (2023): Jurnal Farmasi Sandi Karsa (JFS)
Publisher : Politeknik Sandi Karsa

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36060/jfs.v9i2.96

Abstract

Pain is a form of emotional sensory discomfort associated with risk or damage to body tissues, this can arise when tissues are being damaged. The classification of pain is generally divided into two, namely acute pain and chronic pain. The treatment often used for acute pain (analgetic-anti-inflammatory) is ibuprofen. However, ibuprofen if consumed in the long term can cause some side effects for the body. The purpose of this study was to find candidates for medicinal ingredients from 96 compounds found in garlic bulbs (Allium sativum L.) as analgetic-anti-inflammatory. This research method uses experimental methods in silico which include molecular docking and molecular dynamics. The results of this study show that UBP20 compounds (tetracycline) have better toxicity than ibuprofen, as well as produce interactions that can be stabilized by the amino acids ARG120 and TYR355. Based on molecular dynamic results, UBP20 compounds have RMSD values of ±2.32 Å and ∆GTOTAL values of -24.27 kcal / mol. While Ibuprofen has an RMSD value of ±2.46 Å and ∆GTOTAL -35.21 kcal / mol. So it can be concluded that UBPP20 compounds have stable interactions with 1EQG receptors that can be used as candidates for analgetic-anti-inflammatory drugs, but do not yet have a lower ∆GTOTAL value than Ibuprofen (comparison drug).
The Potency of Alkaloid Derivates as Anti-Breast Cancer Candidates: In Silico Study Renadi, Sedin; Pratita, Anindita Tri Kusuma; Mardianingrum, Richa; Ruswanto, Ruswanto
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 9, No. 1, May 2023
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v9i1.31481

Abstract

Breast cancer is the most frequent malignancy in women worldwide. One of the target receptors for the treatment of breast cancer are estrogen, progesterone, and HER2 receptors. An alternative treatment using natural ingredients has been developed, one of which is alkaloid compounds. This study aims to determine the activity of alkaloid compounds as anti-breast cancer agents through an in-silico method. Virtual screening (AutoDock Vina), molecular docking (AutoDock Tools), molecular dynamics (Desmond), scanning Lipinski's rule of five, as well as pharmacokinetic and toxicity parameters, were performed. The results of virtual screening, molecular docking, and molecular dynamics show that the compounds daurisoline, solasodine, and sambutoxin have stable interactions with the HER2 receptor, with the lowest values of RMSD (Root Mean Square Deviation) and RMSF (Root Mean Square Fluctuation) compared to other compounds. Based on the results of the study conducted, it was shown that daurisoline, solasodine, and sambutoxin were predicted to be used as anti-HER2 candidates for the treatment of breast cancer.
The Virtual Screening of Flavonoid Derivatives on Progesterone, Estrogen, and HER-2 Receptor for Breast Cancer Treatment Candidate Septian, Ade Dwi; Wardani, Gatut Ari; Mardianingrum, Richa; Ruswanto, Ruswanto
Jurnal Kimia Valensi Jurnal Kimia VALENSI Volume 9, No. 1, May 2023
Publisher : Syarif Hidayatullah State Islamic University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15408/jkv.v9i1.31482

Abstract

Cancer is defined as a disease caused by progressive and abnormal cell proliferation in the body. This condition is caused by deoxyribonucleic acid (DNA) changes, which causes cells to lose their normal function. The aim of this study is to find that flavonoid compounds have a more stable interaction than tamoxifen as anti-cancer candidates. Research has been conducted in silico with molecular docking (AutodockTools-1.5.7) and molecular dynamics of 200 flavonoid compounds. Furthermore, pharmacokinetic parameters, toxicity, and the application of the Lipinski Rule of Five were investigated. Based on molecular docking results, the compounds eriocotrin, glabrol, kaempferitrin, linarin, and narirutin have more stable interactions with lower binding energy (∆G) than tamoxifen. From the results of molecular docking, molecular dynamics, and pharmacokinetic studies, it is predicted that the kaempferitrin compound can be used as an anti-cancer candidate and does not cause toxicity through further research.
Co-Authors Aas Nuraisah Aas Nuraisah Aas Nuraisah Adinda Putri Amanda Afriliani, Sindy Aguslina Kirtishanti Agustien, Gina Septiani Ai Teni Siti Robi`ah Amelia, Widya Puspitasari Andri Kusmayadi Arif Budiman Arry Yanuar AYU RAHMAWATI Bachtiar, Kamiel Roesman Delis Susilawati Diah Lia Aulifa Dudi Nurmalik Elis Nurul Ikhlas Elsi Eryanti Fajar Setiawan Falya, Yuniarti Feri Sandria Fessolsalmin, Muhammad Firiani, Yuli Garna, Imam Mustaqim Gatut Ari Wardani Gina Septiani Agustien Gina Septiani Agustien Gina Septiani Agustien Ginna Sri Nuryani Gramita, Widya Siva Hadiwijaya, Nathannael Adrya Harfiah Nur Aini Hartono, Sugianto Ayudha Ikram, Nur Kusaira Khairul Indah Cantika Indri Rahmawati Irma Andriani Isti Daruwati Jhoni, I Made Kamiel Roesman Bachtiar Korry Novitriani, Korry Kuncoro, Aditiya Kurniawan, Rian Liawardi, Petra Pahlawanda Chrisanto Lilis Tuslinah Lilis Tuslinah, Lilis Lina Rahmawati Rizkuloh Makiyatuzahro, Dede Avissa Mardhiah Mardhiah Mardhiah Mardhiah Mas'ud, Ibnu Meylany Sity Rossy Lestary Mia Nurfazriah Mida Hamidah Mochamad Herdi Nurzaman Monikasari, Hesti Muchtaridi Muchtaridi Nahariyah, St. Rohmani Napitupulu, Gloria Neta Ekayanti Suganda Nisa Uswatun Khasanah Nitya Nurul Fadilah Nofianti, Tita Nofriyaldi, Ali Nur Aji Nur Aji Nur Ihsani Pertiwi Nur Laeli Dwi Hidayati Nur Laili Dwi Hidayati Nur Rahayuningsih Nur Rahayuningsih, Nur Nurlaila, Putri Saniah Nurmalik, Dudi Nurmalik, Dudi Nursuhud Nursuhud Nursuhud Nurul Frasiska Oktariani, Anisa Pertiwi, Nur Ihsani Pratama, Rizki Pratita, Anindita Tri Kusuma Pratomo, Muhammad Fadhil Putri Dian Wulansari Renadi, Sedin Rifda Naufalin Rizgy Anggia Ruswanto, Ruswanto Ryan Apriandi Sa'banah, Nonah Sarwatiningsih, Yunia Sarwatiningsih, Yunia Septian, Ade Dwi Setyawati, Luthfi Utami Sindy Afriliani Siswandono, Siswandono Srie Rezeki Nur Endah Srie Rezeki Nur Endah Suhardiana, Eddy Suharyani, Ine Suharyani SUSANTI Susanti Susanti Susanti Susanti Susanti Susanti Susanti Susanti Syifa Alifia Lukman Syifa Sri Rahmawati Tammy Riyanda Julianti Tati Herlina Tifa Nofianti Tita Nofianti Tita Nofianti, Tita Tresna Lestari, Tresna Tuslinah, Lilis Unang Supratman Vikandari, Sonya Nurizki Walid, Rifan Afrian Nur Winda Trisna Wulandari, Winda Trisna Wirantono, Sebastian Nathanoel Yanti Yanti Yuliawati, Sri Yunia Sarwatiningsih