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SKRINING VIRTUAL DAN PENAMBATAN MOLEKUL SEBAGAI METODE PEMILIHAN PENGGUNAAN OBAT YANG SUDAH ADA (REPURPOSING DRUG) KANDIDAT TERAPI COVID-19 I Gede Ari Sumartha
MEDFARM: Jurnal Farmasi dan Kesehatan Vol 10 No 2 (2021): MEDFARM: Jurnal Farmasi dan Kesehatan
Publisher : LPPM Akafarma Sunan Giri Ponorogo

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.48191/medfarm.v10i2.67

Abstract

COVID 19 merupakan penyakit yang mematikan dan masih belum ditemukan obatnya. Penelitian terhadap obat baru hingga dapat diedarkan membutuhkan waktu yang lama, sehingga penggunaan obat yang sudah ada dapat dijadikan alternatif terhadap terapi COVID 19. Metode skrining virtual dan penambatan molekul dapat dijadikan salah satu metode untuk mendapatkan pilihan dari pangkalan data obat-obat yang FDA-approved. Skrining virtual dengan metode electroshape diharapkan mendapatkan obat-obat dengan sifat yang sama seperti obat yang sudah terbukti secara in vitro menghambat enzim Mpro. Validasi metode perlu dilakukan terlebih dahulu sebelum dilakukan penambatan molekul dari obat-obat hasil skrining dengan menggunakan senyawa perangkap. Hasil validasi didapatkan kurva ROC sebesar 0,900 yang merupakan hasil validasi yang baik. Setelah dilakukan penambatan molekul obat-obat hasil skrining didapatkan dua obat dengan binding affinity yang lebih rendah dari senyawa penuntunnya yaitu natamycin dan pitavastatin.
PEMBERDAYAAN WARGA BINAAN LEMBAGA PEMASYARAKATAN DALAM PEMANFAATAN POTENSI BUNGA MELATI UNTUK PRODUK AROMATERAPI Krisnawan, Alfian Hendra; Sumartha, I Gede Ari; Amriel, Egan Evanzha Yudha
JMM (Jurnal Masyarakat Mandiri) Vol 7, No 6 (2023): Desember
Publisher : Universitas Muhammadiyah Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31764/jmm.v7i6.17837

Abstract

Abstrak: Aromaterapi dari minyak atsiri bunga melati memiliki manfaat untuk mengurangi stress, depresi dan kecemasan pada masyarakat, salah satunya akibat pandemi COVID-19. Tanaman melati memiliki peluang besar untuk dikembangkan dalam pemenuhan bahan baku produk aromaterapi. Warga binaan Lembaga Pemasyarakatan (LP) kelas 1 Surabaya memiliki potensi dalam pengembangan ini karena diprogramkan untuk kegiatan kewirausahaan, selain itu lahan di LP yang baik untuk dimanfaatkan dalam bidang pertanian, khususnya tanaman melati. Namun, pemahaman warga binaan terhadap budidaya tanaman melati masih kurang, dan belum memiliki keterampilan pembuatan produk aromaterapi. Dari potensi dan permasalahan tersebut, maka dilakukan program kegiatan dengan tujuan peningkatan pengetahuan dan keterampilan warga binaan dalam pemanfaatan potensi bunga melati di LP kelas 1 Surabaya. Kegiatan dilakukan melalui penyuluhan dan pelatihan kepada 10 warga binaan dan dievaluasi menggunakan metode pretest dan posttest. Hasil evaluasi setelah dilakukan kegiatan pemberdayaan adalah peningkatan pemahaman warga binaan terkait budidaya tanaman melati mencapai 51,28%, sedangkan pemahaman terkait ekstraksi dan aromaterapi mencapai 21,26%, selain itu warga binaan juga melanjutkan panerapan budidaya setelah kegiatan selesai. Harapan dari program ini antara lain, ilmu dan keterampilan yang sudah diperoleh warga binaan, dapat diajarkan kepada warga binaan lainnya, dan dapat dimanfaatkan dalam bidang wirausaha ketika selesai masa pembinaan.Abstract: Aromatherapy from jasmine flower essential oil has benefits for reducing stress, depression, and anxiety in society due to the COVID-19 pandemic. The jasmine plant has an excellent opportunity to be developed as a raw material for aromatherapy products. The inmates of the Surabaya Class 1 Correctional Institution (LP) have the potential for this development because it is programmed for entrepreneurial activities. Moreover, the LP's land is suitable for the agricultural sector, especially jasmine plants. However, the inmates' understanding of jasmine cultivation is less, and they do not have the skills to make aromatherapy products. Based on these potentials and problems, a program was carried out to increase inmates' knowledge and skills in utilizing the potential of jasmine flowers in Surabaya Class 1 LP. Activities are carried out through counseling and training for ten inmates, which is evaluated using pretest and posttest methods. The results of empowerment activities showed an increase in the understanding of the inmates regarding the cultivation of jasmine plants, reaching 51.28%, and the understanding regarding extraction and aromatherapy reached 21.26%. Moreover, the inmates continued to practice cultivation after completing the activity. Expectations from implementing this program are that the knowledge and skills that the inmates have acquired can be taught to other inmates and utilized in the field of entrepreneurship when the inmate period is completed.
Development of Captopril Analysis Method in Traditional Antihypertensive Medicine by Densitometry Risthanti, Reine; Sumartha, I Gede Ari; Alkindi, Fawandi Fuad; Budiono, Ryanto; Ananda, Rizka Widya
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol. 8 No.1 (2025)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v8i1.53926

Abstract

Introduction: The utilisation of traditional medicine to address health concerns is on the rise. One such traditional medicine product is antihypertensive herbal medicine. The Indonesian Food and Drug Authority (BPOM) has identified the presence of medicinal chemicals in traditional medicinal products, which has the potential to pose a significant risk to consumers. Captopril is one of the antihypertensive drugs that may be added as BKO in herbal medicine. Aims: The objective of this study was to develop a method for the analysis of the chemical content of captopril in antihypertensive herbs sold online under the following brands: A, B, C, and D. Method: The analytical method used was TLC-densitometry, utilising a mobile phase of chloroform: methanol (7:3). Result: The results show that the method used has fulfilled the requisite validation criteria for linearity, limit of detection (LOD), limit of quantitation (LOQ), accuracy, and precision parameters. The results of the analysis demonstrated that the sample did not contain any detectable quantities of captopril. Conclusion: The developed method has been proven to be effective for the analysis of captopril in antihypertensive herbal products and it can be confirmed that there is no presence of captopril medicinal chemicals in samples from brands A, B, C, and D
Molecular Docking: Study of Chalcone Derivatives from Boesenbergia pandurata Targeting Estrogen Receptor Alpha (ER–a) for Breast Cancer Amelia, Marsha Anggita; Kesuma, Dini; Kirtishanti, Aguslina; Sumartha, I Gede Ari; Claudya, Maria
Jurnal Penelitian Pendidikan IPA Vol 10 No 11 (2024): November
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v10i11.8734

Abstract

The increasing number of cancer patients and the challenge of multidrug resistance (MDR) demand more effective drugs, which can be developed by modifying compounds derived from natural resources, such as the flavonoid-rich temu kunci rhizome (Boesenbergia pandurata (Roxb.) Schlecht.). This study aims to predict the cytotoxicity and toxicity of 20 Pinostrobin derivatives and 19 Chalcone derivatives as potential anticancer candidates. Estrogen receptor alpha (ER-α), a validated cancer therapy target, was used for molecular docking in in silico tests using Molecular Graphics Laboratory (MGL) Tools (including, AutoDock Vina, AutoDock Tools 4.1, and Python 2.5.2) and PyRx Program. Toxicity was predicted using the pkCSM program and Protox online tool. The docking process involved binding the compounds to ER-α (PDB IDs 6CHZ and 3ERT), with the binding energy indicating activity; lower binding energy values suggest greater cytotoxic potential and stronger ligand-receptor interactions. The results showed that Chalcone derivatives from temu kunci exhibited lower toxicity and higher cytotoxic activity compared to Pinostrobin derivatives and the reference compound, Tamoxifen (TAM). Notably, Bis-3-chlorobenzyloxychalcone and Bis-2-chlorobenzyloxychalcone demonstrated the highest predicted cytotoxic activity. In conclusion, Chalcone derivatives are promising candidates for further development as more effective anticancer drugs, especially those that outperform Tamoxifen. These findings highlight the potential of natural compounds, particularly Chalcone derivatives, in combating cancer while addressing the growing challenge of MDR in clinical treatments.
Activities of Chalcone Derivatives from Boesenbergia rotunda Against Human Estrogen Receptor Alpha of Breast Cancer by In Silico Claudya, Maria; Kesuma, Dini; Kirtishanti, Aguslina; Sumartha, I Gede Ari; Amelia, Marsha Anggita
Jurnal Penelitian Pendidikan IPA Vol 10 No 10 (2024): October
Publisher : Postgraduate, University of Mataram

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.29303/jppipa.v10i10.8865

Abstract

The high prevalence of cancer must be overcome with prompt and appropriate prevention and treatment. New drug design is an effort to develop existing drugs, and their molecular structure and biological activity have been known through structural modification. It encourages researchers to explore Indonesia's natural resources, especially plants with anticancer activity, namely by synthesizing chalcone-derived compounds derived from the isolation of Fingerroot rhizomes (Boesenbergia rotunda). The most common flavonoid compound found in rhizomes fingerroot plants is pinostrobin. Pinostrobin compounds and their derivatives are synthesized, resulting in chalcone compounds and their derivative modifications. The author conducted an in-silico test on pinostrobin compounds and 19 of their derivatives, chalcone compounds, and 18 derivatives using estrogenic-a receptors with PDB codes 3ERD and 1G50. The author hoped that from this silico test, compounds with more potential as anticancer for breast cancer would be obtained based on the results of docking with 3ERD and 1G50 receptors and can then be synthesized. In the results of this study, the compounds Bis-4-bromobenzyoxychalcone and Bis-4-chlorobenzyloxychalcone are the most appropriate compounds to be synthesized. It is hoped that in the future, they can be continued with activity tests of these compounds, both in vitro and in vivo, because these compounds are predicted to have the best activity and do not have hepatotoxic or other toxicity effects