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All Journal Journal of Food and Pharmaceutical Science Jurnal Tumbuhan Obat Indonesia JURNAL FARMASIMED (JFM) ad-Dawaa : Journal of Pharmaceutical Sciences Acta Chimica Asiana Current Research on Biosciences and Biotechnology Journal of Multidisciplinary Applied Natural Science Sasambo Journal of Pharmacy Journal of Health Science Sinteza Scientica: Jurnal Ilmiah Sains dan Teknologi Journal of Food and Pharmaceutical Sciences Indonesian Journal of Cosmetics Medical Sains : Jurnal Ilmiah Kefarmasian
Arif Setiawansyah
Akademi Farmasi Cendikia Farma Husada
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EVALUASI DAN IDENTIFIKASI GOLONGAN SENYAWA POTENSIAL ANTIBAKTERI PADA DAUN DAN KULIT BATANG MIMBA (Azhadirachta indica A. Juss) TERHADAP Escherichia coli Arif Setiawansyah; Aliefman Hakim; Dyke Gita Wirasisya
Jurnal Tumbuhan Obat Indonesia Vol 11 No 2 (2018): Jurnal Tumbuhan Obat Indonesia
Publisher : Balai Besar Penelitian dan Pengembangan Tanaman Obat dan Obat Tradisional

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (442.318 KB) | DOI: 10.22435/jtoi.v11i2.1003

Abstract

ABSTRACT Neem (Azadirachta indica A.Juss) is a plant that potentially developed for antibacterial agent for both the leaves and barks. The aims of this study were to compare the effectiveness of the antibacterial activity of neem leav es and stem barks extract and to identify the antibacterial compounds of the most active fractions. The extraction method was done using sonication method. Antibacterial activity was evaluated using wells solid diffusion method and TLC-Bioautography. Extract fractionation was conducted using liquid-liquid partitioning method. The chemical compounds of extracts and fractions were analyzed using TLC and GCMS. The result of sonication extraction obtained neem leaves oil (12,02%), leaves crude extract (4,3%) and stem barks crude extract (16,85%). The major chemical constituents of GCMS analysis are 2,3-Dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one (6,06%), L-proline,1-Acetyl-(CAS) Acetylproline (5,85%), 4-hydroxy-2-methyl-pyrrolidine-2-carboxylic acid (21,42%), 2,3-Dyhidrobenzofuran (2,69%), alpha-D-methylglucopyranoside (4,54%), palmitic acid (2,92%), Arabino-hex-1-enitol, 1,5-Anhydro-2-deoxy-(CAS) glucal (31,69%). Phytochemical screening of neem leaves oil, leaves and barks crude extract revealed the presence of alkaloids, flavonoids, phenols, saponins, triterpenoids, steroids and sterols. Antibacterial test results showed neem leaves oil was more effective than leaves and stem barks crude extract against Escherichia coli. The n-hexane fraction showed higher antibacterial activity than ethyl acetate fraction and ethanol fraction. Phytochemical screening of n-hexane fraction showed the presence of triterpenoids, steroids, sterols and phenols. Mimba (Azadirachta indica A.Juss) merupakan tanaman yang berpotensi dikembangkan sebagai antibakteri baik bagian daun maupun kulit batang. Penelitian ini bertujuan untuk membandingkan efektivitas antibakteri ekstrak daun dan kulit batang mimba terhadap Escherichia coli dan untuk mengidentifikasi golongan senyawa potensial antibakteri pada fraksi teraktif. Pengujian aktivitas antibakteri dilakukan dengan metode difusi padat menggunakan sumuran dan KLT-Bioautografi. Fraksinasi ekstrak dilakukan dengan metode partisi. Komponen kimia ekstrak dan fraksi dianalisis menggunakan KLT dan GCMS. Hasil ekstraksi sonikasi diperoleh minyak daun (12,02%), ekstrak kasar daun (4,3%) dan ekstrak kasar kulit batang (16,85%). Skrining fitokimia menunjukkan minyak daun, ekstrak kasar daun dan ekstrak kulit batang mimba mengandung senyawa alkaloid, flavonoid, fenolik, saponin, triterpenoid, steroid dan sterol. Komponen kimia mayor hasil analisis GCMS minyak daun mimba adalah 2,3-dihydro-3,5-dihydroxy-6-methyl-4H-pyran-4-one (6,06%), L-proline,1-Acetyl-(CAS)Acetylproline (5,85%), 4-hydroxy-2-methyl-pyrrolidine-2-carboxylic acid (21,42%), 2,3-dyhidrobenzofuran (2,69%), Alpha-d-methylglucopyranoside (4,54%), Asam Palmitat (2,92%), Arabino-hex-1-enitol, 1,5-anhydro-2-deoxy-(CAS)glucal (31,69%). Hasil uji antibakteri menunjukkan minyak daun lebih efektif menghambat pertumbuhan Escherichia coli dibandingkan dengan ekstrak kasar daun dan kulit batang. Fraksi n-heksan menunjukkan aktivitas antibakteri paling besar dibandingkan dengan fraksi etil asetat dan etanol. Hasil skrining fitokimia fraksi n-heksan menunjukkan adanya senyawa triterpenoid, steroid, sterol dan fenolik.
Potensi anti-kanker payudara tanaman songga (Strychnos lucida R.Br): Tinjauan interaksi molekuler terhadap reseptor estrogen-α in silico Muhammad Andre Reynaldi; Arif Setiawansyah
Sasambo Journal of Pharmacy Vol. 3 No. 1 (2022): April
Publisher : Universitas Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/sjp.v3i1.149

Abstract

Songga (Styrchnos lucida R.Br) is a plant that has potential to be developed as an anti-breast cancer against. This study was conducted to predict the secondary metabolite derived from songga, which potential as anti-breast cancer through inhibition of estrogen receptor-α. A molecular docking study was carried out using Autodock Vina assisted by AutodockTool and Biovia Discovery Studio. The study used estrogen receptor-α as a protein and ten compounds from songga as ligands. The 3D structure of estrogen receptor-α and ten ligands were obtained from Protein Data Bank and the PubChem database. The result revealed that strychnine N-oxide is the compound that has the lowest free binding energy and inhibition constant with the value 9.6 kcal/mol and 0.09 µM, respectively. This indicated that strychnine N-oxide has an excellent affinity for estrogen receptor-α. Thus, this compound is predicted to inhibit the estrogen receptor-α and can be developed as anti-breast cancer. However, further investigations such as molecular dynamics simulation, in vitro and in vivo assays should be undertaken.
Molecular docking-based virtual screening of antidiabetic agents from Songga (Strychnos lucida R.Br.): an Indonesian native plant Arif Setiawansyah; Muhammad Andre Reynaldi; Daryono Hadi Tjahjono; Sukrasno
Current Research on Bioscences and Biotechnology Vol. 3 No. 2 (2022)
Publisher : Institut Teknologi Bandung

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/crbb.2022.3.2/82KYTCPW

Abstract

This study was carried out to predict the compounds derived from Songga that have potential as antidiabetic and predict their mechanism of action on various pathways of glucose regulation in diabetes mellitus by molecular docking. Molecular docking-based virtual screening was done by using AutoDock Vina software assisted by AutoDockTools. The test compounds used for virtual screening were obtained from literature studies and were combined with Lipinski’s rule to select the compounds for the prediction of lead candidates that can be used in oral administration. The receptors used in this study were human aldose reductase, human maltase-glucoamylase, PPAR-gamma, pancreatic beta-cell SUR1, and human DPP-IV. The validation of the molecular docking method of five target receptors showed that RMSD values of human aldose reductase, human maltase-glucoamylase, PPAR-gamma, pancreatic beta-cell SUR1, and human DPP-IV were 0.6446 Å, 1.8668 Å, 0.2527 Å, 1.7452 Å, and 1.7439 Å, respectively. From the molecular docking-based virtual screening, we discovered that for each target protein, there were one to three optimal compounds that have the best interaction in our investigation. Those compounds were chlorogenic acid on human aldose reductase, phyllamycin A, chlorogenic acid, and brucine N-oxide on human maltase-glucoamylase, phyllamycin A on PPAR-gamma, strychnine N-oxide on pancreatic beta-cell SUR1 and strychnine on human DPP-IV with binding affinity value of -9.9 kcal/mol, -7.6 kcal/mol, -9.9 kcal/mol, -8.8 kcal/mol, and -6.2 kcal/mol, respectively. Several compounds are predicted to have potential to be developed as antidiabetic agents. However, further laboratory investigations like in vitro and in vivo assays need to be conducted.
Potential Activity of Caryophyllene Derivatives as Xanthine Oxidase Inhibitor: An in silico Quantitative Structure-Activity Relationship Analysis Arif Setiawansyah; Baiq Maylinda Gemantari
Journal of Food and Pharmaceutical Sciences Vol 10, No 3 (2022): J.Food.Pharm.Sci
Publisher : Institute for Halal Industry and System (IHIS) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.5485

Abstract

As the enzyme responsible for the uric acid formation, Xanthine oxidase was considered to be a therapeutic target for hyperuricemic treatment. This study was carried out to assess the potential of caryophyllene, and its derivates usually present in the natural product to inhibit Xanthine oxidase. The molecular docking using Autodock Tool and Biovia Discovery Studio was conducted to visualize the molecular interaction and to reveal the structure-activity relationship of those compounds. The results showed that the derivates of caryophyllene showed a higher affinity to Xanthine Oxide than Allopurinol. Among those all, caryophyllene oxide has the most stable bonding to xanthine oxide. Structure-activity relationship analysis showed that the chemical properties of the compound affected the affinity and molecular interaction to the enzyme as the target site in this study. The number of double bonds, substituents position, conformational structure related to steric hindrance, and the presence of lactone ring were assumed to influence the xanthine oxide inhibitory activity of caryophyllene derivates.
Potential Activity of Caryophyllene Derivatives as Xanthine Oxidase Inhibitor: An in silico Quantitative Structure-Activity Relationship Analysis Arif Setiawansyah; Baiq Maylinda Gemantari
Journal of Food and Pharmaceutical Sciences Vol 10, No 3 (2022): J.Food.Pharm.Sci
Publisher : Institute for Halal Industry and System (IHIS) Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/jfps.5485

Abstract

As the enzyme responsible for the uric acid formation, Xanthine oxidase was considered to be a therapeutic target for hyperuricemic treatment. This study was carried out to assess the potential of caryophyllene, and its derivates usually present in the natural product to inhibit Xanthine oxidase. The molecular docking using Autodock Tool and Biovia Discovery Studio was conducted to visualize the molecular interaction and to reveal the structure-activity relationship of those compounds. The results showed that the derivates of caryophyllene showed a higher affinity to Xanthine Oxide than Allopurinol. Among those all, caryophyllene oxide has the most stable bonding to xanthine oxide. Structure-activity relationship analysis showed that the chemical properties of the compound affected the affinity and molecular interaction to the enzyme as the target site in this study. The number of double bonds, substituents position, conformational structure related to steric hindrance, and the presence of lactone ring were assumed to influence the xanthine oxide inhibitory activity of caryophyllene derivates.
ANTIOXIDANT ACTIVITY OF ROASTED KEDAWUNG SEED (Parkia timoriana) USING SCAVENGER FREE RADICAL DPPH METHOD Ismanurrahman Hadi; Teguh Adiyas Putra; Reza Alrayan; Arif Setiawansyah; Dewi Luthfiana; Perdana Priya Haresmita
Medical Sains : Jurnal Ilmiah Kefarmasian Vol 8 No 4 (2023)
Publisher : Sekolah Tinggi Farmasi Muhammadiyah Cirebon

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.37874/ms.v8i4.932

Abstract

Kedawung seeds (Parkia timoriana) contain polyphenolics and flavonoids that can provide pharmacological activities, such as antioxidants. In several regions of Indonesia, kedawung seeds are preserved using the roasting method. This study aimed to analyze the effect of roasting on the content of phytochemical compounds and determine their antioxidant activity using the DPPH method. Roasted kedawung seeds were extracted using a maceration method in ethanol. Phytochemical screening was performed to qualitatively analyze the contents of several phytochemical compounds in the extract. The results showed that roasted kedawung seed extract contained alkaloids, flavonoids, saponins, and terpenoids. Antioxidant testing was performed using the DPPH method with ascorbic acid as a positive control. The IC50 value of ascorbic acid, P. timoriana seed and roasted seed of P. timoriana measured each 12.3 ppm; 20.6 ppm and 9.8 ppm; which categorized as strong antioxidant compounds. These results indicated an increase in the antioxidant effect after roasted seed processing. It concluded that the roasting process could enhance antioxidant effect of P. timoriana seed  Keywords: Kedawung seeds, roasted method, antioxidant, DPPH
HMG-CoA Reductase Inhibitory Activity Potential of Iota-, Kappa-, and Lambda-carrageenan: A Molecular Docking Approach Setiawansyah, Arif; Muh Ikhlas Arsul; Adliani, Nur; Wismayani, Leni
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol 5 No 2 (2022)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v5i2.32721

Abstract

HMG-CoA reductase is an essential enzyme responsible for the biosynthesis of cholesterol. Hyperactivity of HMG-CoA reductase will increase cholesterol production, leading to the elevation of blood cholesterol levels. Inhibition of HMG-CoA reductase is one way to block cholesterol biosynthesis to lower blood cholesterol levels. This study evaluated the inhibitory potential of iota-, kappa-, and lambda-carrageenan against HMG-CoA reductase. The study was undertaken by in silico method using a molecular docking approach via Autodock 4.2 assisted by ADT graphical user interface. HMG-CoA reductase co-crystal structure was used as the target, and iota-, kappa-, and lambda-carrageenan as the test ligands. The result revealed that iota- and lambda-carrageenan possess an excellent affinity to HMG-CoA reductase with the free binding energy of -12.44 and -11.87 kcal/mol and Ki value of 0.765 and 2.01 nM, respectively, which is found to be better than Simvastatin and the native ligand. The compounds' chemical properties influenced the molecules' molecular interactions affecting their affinity. The number of SO4 groups is assumed to affect the HMG-CoA reductase inhibitory activity of iota-, kappa-, and lambda-carrageenan. KEYWORDS: iota-, kappa-, and lambda-carrageenan; HMG-CoA reductase; inhibitory activity; molecular docking
Aaptamine Enhanced Doxorubicin Activity on B-Cell Lymphoma 2 (Bcl-2): A Multi-Structural Molecular Docking Study Setiawansyah, Arif; Susanti, Gita; Alrayan, Reza; Hadi, Ismanurrahman; Ikhlas Arsul, Muhammad; Luthfiana, Dewi; Wismayani, Leni; Hidayati, Nurul
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol. 7 No. 1 (2024)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v7i1.46796

Abstract

Doxorubicin, a widely used chemotherapeutic agent, targets Bcl-2, but its efficacy can be limited by drug resistance. Its combination with natural derived compound can be a therapeutic approach to overcome this problem. This study aimed to investigate the molecular interactions and binding affinities of aaptamine and doxorubicin with Bcl-2 using molecular docking simulations, and to evaluate the potential synergistic effects of their combination. Molecular docking studies were performed to predict the binding modes and affinities of aaptamine and doxorubicin along with their combination to Bcl-2. Molecular docking simulation results showed that aaptamine binds to the BH3 binding groove of Bcl-2, forming key interactions with residues like Asp70, Tyr67, Phe112 and Glu111. Aaptamine stabilized the binding of doxorubicin to Bcl-2 through hydrophobic bonding and van der Waals interactions, resulting in enhanced binding affinity. The combination of aaptamine and doxorubicin exhibits synergistic anticancer effects by enhancing the binding affinity of doxorubicin to Bcl-2. Molecular docking simulations provided insights into the stabilizing interactions between aaptamine, doxorubicin, and Bcl-2, suggesting a potential strategy for overcoming Bcl-2-mediated drug resistance in cancer. However, further in vitro investigation is needed to be implemented.
Breaking Boundaries: A Comparative Analysis of Weak vs. Strong Bases in Eugenol Isolation from Syzygium aromaticum (L.) Merr. & LM Perry Handayani, Dwi; Sitindaon, Rina SE; Hidayati, Nurul; Setiawansyah, Arif
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol. 6 No. 2 (2023)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v6i2.47483

Abstract

Eugenol, a phenolic compound classified within the phenylpropanoid group, stands out as a key constituent of clove oil, boasting a myriad of biological activities. Its isolation typically involves the utilization of an alkaline solution, yet the choice of alkaline agent significantly impacts the yield of eugenol. This study delves into the impact of various alkaline solutions on the isolated eugenol content from Syzygium aromaticum essential oil, leveraging its acidic properties to form a soluble eugenol salt in an aqueous medium. Employing alkaline solutions with a concentration of 1 N, including both strong bases (such as KOH, NaOH, and Ba(OH)₂) and weak bases (like Ni(OH)₂, Al(OH)₃, and Zn(OH)₂), we scrutinized the diverse outcomes on eugenol content. Results revealed that KOH yielded the highest eugenol content at 96.91%, while Zn(OH)₂ displayed the lowest at 20.99%. Nevertheless, the potential of weak alkaline solutions in the eugenol isolation process from Syzygium aromaticum essential oil remains noteworthy. Future endeavors should focus on optimizing the ideal concentration of weak alkaline solutions for this purpose.
Integrating The Network Pharmacology and Molecular Docking to Uncover The Potential Mechanism Of Rutin In Fighting Diabetes Mellitus Putri, Stella Anatasya Putri; Maharani, Andi Rani Gustia; Luthfiana, Dewi; Nweze, Leonard Chinecherem; Setiawansyah, Arif; Susanti, Gita; Doloking, Haeria
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol. 7 No. 1 (2024)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v7i1.49701

Abstract

Introduction: Rutin is a flavonol glycoside that is known to have blood sugar reducing activity. However, its molecular mechanism in reducing blood sugar level remains unclear. This study was employed to elucidate the pharmacological mechanism of rutin as antidiabetic agent. Methods: Potential target of rutin was screened in relevant databases to construct a compound-target network. Network pharmacology was utilized to identify targets associated with disease, gene ontology and KEGG pathways and confirmed its potential binding affinity using Autodock 4.2 assisted by ADT interface. Result: The result highlighted mTor, PIK3R1, and NFKB1R as a potential target of Rutin through network pharmacology. This target involved in the insulin signaling pathways, insulin resistance, type 2 diabetes mellitus, B receptor signaling pathways, AGE-RAGE signaling pathway in diabetic complications and pancreatic cancer. All docking protocols were valid with RMSD value for TNF-a, NF-KB, PI3K were 0.72 Å, 0.67 Å, ​​and 0.54 Å, respectively. The molecular docking has confirmed the potential mechanism of rutin as antidiabetic agent by stably bound with these proteins with estimated free binding energy values of -8.54 kcal/mol (NF-KB), -8.01 kcal/mol (PI3K), and -6.22 kcal/mol (TNF-a). Conclusion: The study has given insight into the molecular mechanism of rutin in the management of DM by stably bound with NF-KB, TNF-a, and PI3K. However, further laboratory experimental research is needed, particularly in vitro and in vivo assay
Co-Authors Agnesia, Agnesia Aliefman Hakim Alrayan, Reza Amanda, Putri Fadillah Amelia, Nanda Arsul, Muhammad Ikhlas Baiq Maylinda Gemantari Bambang Hernawan Nugroho, Bambang Hernawan Daryono Hadi Tjahjono Dewantara, Jeisen Pajar Dewi Luthfiana Diah Ayu. S Dian Handayani Doloking, Haeria Dwi Handayani Dyke Gita Wirasisya Enggy Erwansani Erwansani, Enggy Evifani, Dinda Silvia Fendi Fendi Fong, Siau Friardi Ismed Gita Susanti Gita Susanti, Gita Hadi, Ismanurrahman Hakim, Aditia Rahman Hengki Adi. P Herlina, Santi Ibnu Fadilah Ikhlas Arsul, Muhammad Indah Indah Jaya, Farrel Septian Khairunnisa Lanang Rachmadi Luthfiana, Dewi maha rani Maharani, Andi Rani Gustia MAURITZ PANDAPOTAN MARPAUNG Maya Ganda Ratna Muh Ikhlas Arsul Muhammad Andre Reynaldi Mutiara, Berkah Nanda Puspita. S Nugraheni Febrianti S Nur Adliani Nurul Hasanah Nurul Hidayati Nweze, Leonard Chinecherem Nyimas Rahma. K Perdana Priya Haresmita Putra, Teguh Adiyas Putri Adelia. M Putri, Stella Anatasya Putri Reza Alrayan Rico Saputra RINA SE SITINDAON Rindi Permata.S Sadaqa, Ebrahim Salsabila, Salwa Salsabilla Nur. C Saputri, Aurya Sephia Panorama Setiawati, Diah Ayu Siti Aminah Stevia, Tessa Sukrasno Susianti Susianti Sutopo Hadi Syaiful Bahri Valentina, Febriani Wismayani, Leni Yufri Aldi Yulius Evan Christian