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All Journal Journal of Food and Pharmaceutical Science CAKRA KIMIA (Indonesian E-Journal of Applied Chemistry) Jurnal Kimia (Journal of Chemistry) Jurnal Farmasi Klinik Indonesia Universa Medicina Acta Pharmaciae Indonesia : Acta Pharm Indo Journal of Health Sciences and Medicine Pharmacy Reports Journal Transformation of Mandalika Prosiding Workshop dan Seminar Nasional Farmasi (WSNF) Journal of Food and Pharmaceutical Sciences
Ni Made Pitri Susanti
Udayana University
Aerospace Engineering Agriculture, Biological Sciences & Forestry Automotive Engineering Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Economics, Econometrics & Finance Electrical & Electronics Engineering Engineering Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mechanical Engineering Medicine & Pharmacology Neuroscience Physics Public Health

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Exploring the binding affinity of rutin, catechin, and epicatechin to ALK and caspase-3: implications for colorectal cancer treatment Adhyaksa, I Nyoman Mahesa Praba; Pramesti, Ni Luh Putu Cintya; Susanti, Ni Made Pitri; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 2 No. 2 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.56

Abstract

This study explores the interaction of rutin, catechins, and epicatechins with anaplastic lymphoma kinase (ALK) and caspase-3, focusing on their potential role in modulating the apoptotic mechanisms in colorectal cancer cells. The experimental approach included the preparation of ALK (PDB ID: 5USQ) and caspase-3 (PDB ID: 2XZT), validation of the docking process, optimization of the test compounds, and docking analyses. The molecular docking methodology was validated with an RMSD value of ≤ 3 Å. The docking outcomes revealed that rutin, catechins, and epicatechin exhibited lower binding affinity to ALK, with binding energies of -8.58 kcal/mol, -8.41 kcal/mol, and -7.82 kcal/mol, respectively, compared to ALK's native ligand (-10.27 kcal/mol). Conversely, these compounds demonstrated higher affinity to caspase-3 than its native ligand (-2.54 kcal/mol), with binding energies of -6.03 kcal/mol for rutin, -5.28 kcal/mol for catechins, and -4.95 kcal/mol for epicatechin. These findings suggest that rutin, catechins, and epicatechins hold promise as colorectal anticancer agents by potentially modulating the activity of ALK and caspase-3 through inhibition and activation mechanisms, respectively.
The activity of of vitexicarpin and artemetin in inhibiting hyperpigmentation: an in silico study Riswana, I Kadek Rizki; Anjani, Ni Luh Ari Krisma; Susanti, Ni Made Pitri; Laksmiani, Ni Made Linda
Pharmacy Reports Vol. 3 No. 1 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.57

Abstract

Hyperpigmentation, characterized by increased skin darkening, is primarily attributed to augmented melanin production, often exacerbated by UV ray exposure. Inhibiting melanogenesis enzymes, such as tyrosinase, tyrosinase-related protein 1, and d-dopachrome tautomerase, is a recognized strategy for managing hyperpigmentation. Flavonoid compounds, namely vitexicarpin and artemetin, have emerged as potential antihyperpigmentation agents. This study explores the inhibitory capabilities of vitexicarpin and artemetin on melanogenesis enzymes through in silico molecular docking. The process involved optimization of test compounds using HyperChem 8, target protein preparation with Chimera 1.11, method validation, and docking employing AutoDockTools 1.5.6, which integrates Autodock4 and Autogrid4 programs. The validity of the molecular docking method was confirmed with an RMSD value of ≤3 Å. The findings demonstrate that vitexicarpin and artemetin exhibit higher affinity towards tyrosinase, tyrosinase-related protein 1, and d-dopachrome tautomerase than the native ligands. Interaction models between the compounds and target proteins include hydrogen bonds, Van der Waals forces, hydrophobic interactions, and electrostatic bonds, with the most visually identifiable hydrogen bonds. These results suggest that vitexicarpine and artemetin have promising potential as antihyperpigmentation agents by inhibiting melanogenesis enzymes, as evidenced by the molecular docking approach.
The potency of pinostrobin and pinocembrin as antiphotoaging agents: in silico study Pradnyana, I Gusti Ngurah Agung; Putri, Ketut Yuantarisa Kartika; Susanti, Ni Made Pitri; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 2 No. 2 (2022): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.58

Abstract

Photoaging occurs when the skin ages due to ultraviolet light exposure. Phenolic compounds generally possess antioxidant activity, which helps prevent the formation of free radicals caused by sunlight exposure. This study explores the potential of pinostrobin and pinocembrin as antiphotoaging agents through molecular docking against matrix metalloproteinases (MMPs): MMP-1, MMP-3, and MMP-9. We utilized Hyperchem 8 to prepare and optimize the test compound and Chimera 1.11.1 for protein preparation. Validation and docking procedures were conducted using the AutoDockTools 1.5.6 application, with validation confirming that the method was valid with an RMSD value ≤ 3 Å. Both pinostrobin and pinocembrin exhibited an affinity for the target protein, although their affinity was slightly less than that of the native ligand and retinol. In conclusion, pinostrobin and pinocembrin demonstrate an affinity for MMP-1, MMP-3, and MMP-9, indicating their potential as anti-photoaging agents by obstructing the mechanisms of MMP-1, MMP-3, and MMP-9.
Comparative in-silico analysis of vitexin and orientin as potential antiphotoaging agents against MMP enzymes Nyunda, Ricky Putra Banyim; Wiantini, Ni Made Rita; Susanti, Ni Made Pitri; Laksmiani, Ni Putu Linda
Pharmacy Reports Vol. 3 No. 2 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.60

Abstract

Photoaging, a result of excessive UV exposure, increases ROS production and collagen degradation by MMPs, causing skin wrinkles and roughness. This study explores the potential of vitexin and orientin as natural antiphotoaging agents through in-silico molecular docking, comparing their efficacy against retinol in inhibiting MMP-1, MMP-3, and MMP-9 enzymes involved in photoaging. The research utilized Hyperchem 8 for compound optimization, Chimera 1.11 for target protein preparation, and AutodockTools 1.5.6 for docking analysis. Results demonstrated that vitexin and orientin exhibit stronger affinity towards MMP-1, MMP-3, and MMP-9, indicated by more negative binding energies than retinol. Their interaction with the MMP enzymes, characterized by specific hydrogen bonds with key amino acid residues, suggests a potent inhibitory effect. This affinity indicates vitexin and orientin’s potential as effective antiphotoaging agents, providing a basis for further exploration in skin care applications.
In silico molecular docking of luteolin as a potential antihyperpigmentation agent Putri, Lucienne Agatha Larasati Nugraha; Anjani, Ni Luh Ari Krisma; Laksmiani, Ni Putu Linda; Susanti, Ni Made Pitri
Pharmacy Reports Vol. 3 No. 1 (2023): Pharmacy Reports
Publisher : Indonesian Young Scientist Group and UPN Veteran Jakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.51511/pr.61

Abstract

Excessive melanin synthesis, often triggered by overexposure to UV rays, is catalyzed by melanogenesis enzymes such as tyrosinase, tyrosinase-related protein 1, and D-dopachrome tautomerase. Derived from natural sources, the flavonoid compound luteolin is explored for its antihyperpigmentation potential. This study assesses luteolin’s efficacy as an antihyperpigmentation agent by analyzing its affinity and bond interactions with melanogenesis enzymes through an in silico approach. Molecular docking, facilitated by HyperChem 8 for test compound optimization and Chimera 1.11.1 for protein preparation, alongside method validation and docking with AutoDockTools 1.5.6, established the protocol’s validity with an RMSD value of ≤3 Å. Docking results reveal luteolin's higher affinity for the target proteins compared to native ligands, with binding energies of -5.63 kcal/mol for tyrosinase, -6.18 kcal/mol for tyrosinase-related protein 1, and -6.54 kcal/mol for D-dopachrome tautomerase. The interaction between luteolin and these proteins involves hydrogen, hydrophobic, electrostatic, and Van der Waals bonds, with amino acid residues His61, Lys129, Arg132 (tyrosinase); His192, His224, Val89 (tyrosinase-related protein 1); and Ile64, Asn73 (D-dopachrome tautomerase) participating in hydrogen bond formation. These findings suggest luteolin’s significant potential as an antihyperpigmentation agent by inhibiting melanogenesis enzymes.
Antimalarial flavonoid glycoside from Carica papaya with inhibitory potential against Plasmodium falciparum dihydrofolate reductase thymidylate synthase: an in-silico study Sri Laksemi, Dewa Ayu Agus; Primayanti, I Dewa Ayu Inten Dwi; Surudarma, I Wayan; Damayanti, Putu Ayu Asri; Susanti, Ni Made Pitri
Universa Medicina Vol. 44 No. 1 (2025)
Publisher : Faculty of Medicine, Universitas Trisakti

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.18051/UnivMed.2025.v44.26-33

Abstract

BACKGROUNDCarica papaya is traditionally used to treat malaria. The mechanism of action of the active constituents may be determined by molecular docking. This study therefore examined the in silico antimalarial activity of selected compounds from Carica papaya using Plasmodium falciparum dihydrofolate reductase thymidylate synthase (PfDHFR-TS) as target protein. METHODSAntimalarial activity screening of Carica papaya compounds was done in silico using AutoDock 4.2 software which was equipped with Autodock tools 1.5.6 for preparation. Five compounds contained in Carica papaya leaves, i.e. quercitrin, isoquercitrin, carpaine, caricaxanthin, and violaxanthin were successfully docked with the target protein. The molecular docking method is declared valid if the RMSD obtained is not more than 2 Å. In vitro evaluation of the test compounds as antimalarials was accomplished by determining their inhibitory activity against dihydrofolate reductase thymidylate synthase (PfDHFR-TS) which plays a role in the synthesis of nucleotides needed by Plasmodium falciparum. RESULTSValidation of Plasmodium falciparum DHFR-TS with PDB ID 1J3I showed an RMSD value of 1.58 Å. The docking results showed that quercitrin, isoquercitrin, carpaine, and caricaxanthin showed negative energy values similar to the native ligand. Therefore the four compounds have good affinity for the target protein, while violaxanthin shows a positive energy value, indicating no affinity for the target protein. CONCLUSIONBased on binding affinity values and molecular interactions, isoquercitrin and quercitrin have inhibitory activity against dihydrofolate reductase thymidylate synthase (PfDHFR-TS), such that they have potential as natural antimalarial candidates.
auan Pustaka Potensi Kakao (Theobroma cacao L.) sebagai Antioksidan dalam Mengatasi Stres Oksidatif Ni Putu Arista Dewi; Ni Made Pitri Susanti
Prosiding Workshop dan Seminar Nasional Farmasi Vol. 3 (2024): Prosiding Workshop dan Seminar Nasional Farmasi 2024
Publisher : Program Studi Farmasi Fakultas MIPA Universitas Udayana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/WSNF.2024.v03.p37

Abstract

Indonesia menghadapi tantangan dalam permasalahan kesehatan akibat penyakit degeneratif yang sering dikaitkan dengan stres oksidatif. Radikal bebas yang berperan dalam kerusakan seluler dan berbagai penyakit seperti kanker dan diabetes, sehingga diperlukan antioksidan untuk menangkal radikal bebas. Kakao (Theobroma cacao L.) dapat berpotensi sebagai sumber antioksidan alami. Kajian literatur ini bertujuan untuk dapat mengetahui potensi kakao sebagai agen antioksidan. Data tinjauan diperoleh melalui search engine seperti Google Scholar dan PubMed yang diterbitkan dalam 5 tahun terakhir baik artikel dari nasional maupun internasional berupa research article dengan kata kunci yakni “Theobroma cacao”, “Kakao”, “Antioksidan”, dan “Antioxidant”. Berdasarkan hasil literatur yang telah dikaji sebanyak 17 artikel yang memenuhi kriteria inklusi, kakao memiliki potensi sebagai agen antioksidan yang kuat. Aktivitas antioksidan ini didukung dengan adanya senyawa fenolik dalam kakao. Potensi kakao sebagai sumber antioksidan alami dapat dimanfaatkan dalam suplemen kesehatan yang bertujuan untuk mencegah atau mengurangi dampak stres oksidatif yang berkontribusi terhadap penyakit degeneratif.
Pengaruh Pemberian Rebusan Daun Sirsak Pada Lansia Penderita Hiperurisemia Luh Gede Winda Kusuma Dewi; Ni Made Pitri Susanti
Prosiding Workshop dan Seminar Nasional Farmasi Vol. 3 (2024): Prosiding Workshop dan Seminar Nasional Farmasi 2024
Publisher : Program Studi Farmasi Fakultas MIPA Universitas Udayana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/WSNF.2024.v03.p41

Abstract

Hiperurisemia terjadi karena konsentrasi asam urat dalam darah mengalami peningkatan hingga melewati ambang wajar, hal tersebut berkaitan dengan timbulnya dampak klinis berupa arthritis gout. Penumpukan asam urat di persendian menyebabkan artritis gout, sejenis peradangan sendi yang seringkali menimbulkan rasa nyeri hebat dan pembengkakan. Salah satu tanaman yang dapat digunakan sebagai obat untuk mengatasi asam urat yakni daun sirsak, dimana dalam daun sirsak mengandung senyawa acetogenin yang memiliki manfaat sebagai antioksidan. Senyawa ini berfungsi dengan memperlambat enzim xantin oksidase, yang berperan dalam mengoksidasi hypoxanthine menjadi xantin, dan kemudian mengubahnya menjadi asam urat. Artikel ini memiliki tujuan untuk mengkaji dampak dari air hasil rebusan daun sirsak (Annona muricata L.) pada kadar asam urat penderita gout. Metode yang digunakan berupa kajian naratif dari literatur yang ditelusuri melalui database Publish or Perish. Beberapa artikel yang diulas bahwa pasien penderita asam urat yang menerima rebusan air daun sirsak menunjukkan pengurangan tingkat konsentrasi dalam tubuh. Konsumsi air rebusan daun sirsak secara rutin dapat membantu mengurangi penumpukan purin.
Potensi Antioksidan dan Neuroprotektif Bunga Telang (Clitoria ternatea L.): Literature Review Ni Kadek Dwi Candra Sasmita Yanti; Ni Made Pitri Susanti
Prosiding Workshop dan Seminar Nasional Farmasi Vol. 3 (2024): Prosiding Workshop dan Seminar Nasional Farmasi 2024
Publisher : Program Studi Farmasi Fakultas MIPA Universitas Udayana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24843/WSNF.2024.v03.p42

Abstract

Tanaman telang (Clitoria ternatea L.) telah dikenal dalam pengobatan tradisional karena khasiatnya yang luas, dan semakin banyak penelitian modern yang mengeksplorasi manfaat farmakologisnya. Literatur review ini bertujuan untuk mengkaji potensi antioksidan dan neuroprotektif tanaman telang (Clitoria ternatea L.) melalui tinjauan literatur yang komprehensif. Metode yang digunakan dalam literatur review ini meliputi pencarian artikel ilmiah di basis data PubMed, Google Scholar, ScienceDirect menggunakan kata kunci “antioksidan”, “bunga telang”, “Clitoria ternatea”, “neuroprotektif” dan “penyakit neurodegeneratif”. Dari pencarian tersebut, sebanyak 3 artikel yang memenuhi kriteria inklusi dievaluasi berdasarkan kualitas metodologi dan relevansi temuan. Hasil tinjauan menunjukkan bahwa sejumlah penelitian telah mengidentifikasi keberadaan senyawa aktif dalam Clitoria ternatea seperti antosianin, flavonoid, dan terpenoid, yang terbukti berkontribusi terhadap aktivitas antioksidan dan neuroprotektif. Aktivitas antioksidan dari ekstrak Clitoria ternatea dapat menghambat radikal bebas. Memproteksi sel oleh dari kerusakan oksidatif. Sementara itu, hasil studi in vivo menunjukkan bahwa ekstrak Clitoria ternatea memiliki efek neuroprotektif yang dapat meningkatkan kognisi, memori, dan melindungi terhadap penyakit neurodegeneratif. Simpulan dari literatur artikel ini adalah bahwa Clitoria ternatea memiliki potensi besar sebagai agen antioksidan dan neuroprotektif alami. Meskipun demikian, penelitian klinis lebih lanjut masih dibutuhkan untuk memvalidasi temuan ini serta memperjelas mekanisme kerja yang mendasari efek-efek tersebut. Tanaman Clitoria ternatea dapat berperan dalam pengembangan lebih lanjut menjadi suplemen kesehatan atau bahan baku dalam produk farmasi yang ditujukan untuk pencegahan dan pengelolaan penyakit neurodegeneratif. Tinjauan ini juga menyajikan fondasi penting bagi peneliti lain untuk melanjutkan penelitian yang aplikatif dan komprehensif.
Extraction techniques for phenolic compounds from Zingiber officinale: a review of traditional, microwave-assisted, and ultrasound-assisted methods Febriani, Ni Kadek Dwi; Susanti, Ni Made Pitri; Dewi, Luh Putu Mirah Kusuma
Acta Pharmaciae Indonesia Vol 13 No 1 (2025): Acta Pharmaciae Indonesia: Acta Pharm Indo
Publisher : Pharmacy Department, Faculty of Health Sciences, Jenderal Soedirman University, Purwokerto, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20884/1.api.2025.13.1.17252

Abstract

Background: The rhizome of Zingiber officinale (ginger) is widely recognized for its pharmacological properties, particularly its antioxidant activity, which is largely attributed to phenolic compounds such as gingerol, shogaol, paradol, and zingerone. Efficient extraction of these compounds requires suitable techniques to maximize yield while maintaining compound stability. Objective: This review aims to evaluate extraction techniques for phenolic compounds from ginger rhizomes, comparing traditional and modern approaches, and to identify methods that produce the highest total phenolic content (TPC). Methods: A literature review was conducted on original research articles published between 2015 and 2025 that reported phenolic extraction from Z. officinale using maceration, soxhlet extraction, reflux, microwave-assisted extraction (MAE), or ultrasound-assisted extraction (UAE). Articles were retrieved from Google Scholar and ScienceDirect databases and assessed against defined inclusion and exclusion criteria. Results: Six eligible studies were included, revealing substantial methodological heterogeneity that complicates direct method comparisons. UAE with 50% ethanol produced the highest TPC (155.19 ± 2.81 mg GAE/g dry weight), followed by Soxhlet extraction (31.10 ± 0.28 mg GAE/g) and MAE (27.89 ± 1.99 mg GAE/g). Reflux and maceration yielded comparatively lower TPC values, with results influenced by solvent type, concentration, temperature, and extraction time. Conclusion: UAE with 50% ethanol is the most effective technique for extracting phenolic compounds from ginger, offering both high yield and compound stability. MAE, while producing lower yields, remains advantageous for its shorter extraction duration.
Co-Authors Adhyaksa, I Nyoman Mahesa Praba Amir Musadad Anjani, Ni Luh Ari Krisma Bhadreswara, I Gede Rheza Wisnu C. Juwianti D. P.D. Saputra Daryono H. Tjahjono Dewa Ayu Swastini Dewi K. A. S. Dewi, A.A.R.P. Dewi, Luh Putu Mirah Kusuma Dewi, N. M. A. P. Diajeng Putri Dwinda Saputra Febriani, Ni Kadek Dwi G. A. K. Amarawati G. A.K. Amarawati Harlina Setiawati Manurung I Dewa Ayu Inten Dwi Primayanti, I Dewa Ayu Inten Dwi I K. Duantara I K. N. S. Sanjaya I Made Agus Gelgel Wirasuta I N.K. Widjaja I. N. T. Wisesa I. P.D.N. I. P. D. N. Parahyangan K. G. Gityarani K. M. Arianti Khatija Taher Ali Kusuma Dewi, Luh Putu Mirah L. P. M. K. Dewi Laksmiani, Ni Made Linda Luh Gede Winda Kusuma Dewi Luh Putu Febryana Larasanty Luh Putu Mirah Kusuma Dewi M. D. Widyastuti M. Primantara Made Gede Praditya Putra Meilinayanti, Ni Made L. Milawati Milawati N. K. M. Noviyanti N. K. M. Noviyanti N. L. P. V. Paramita Ni Kadek Dwi Candra Sasmita Yanti Ni Kadek Warditian Ni Kadek Warditiani Ni Made Dwi Indayani Ni Putu Arista Dewi Ni Putu Linda Laksmiani Nyunda, Ricky Putra Banyim Oka M. P. L. Hendrayati P. V. P. Putri P.P.K. Vedawati P.R. Satriari Pinangkaan, C. Pradnyana, I Gusti Ngurah Agung Pramesti, Ni Luh Putu Cintya Primadewi C. Putri, Ketut Yuantarisa Kartika Putri, Lucienne Agatha Larasati Nugraha Putu Ayu Asri Damayanti Putu Oka Samirana Rahmana E. Kartasasmita Rama Raditya, I Putu Gede Rismayanti, A. A. M. I. Riswana, I Kadek Rizki Sri Laksemi, Dewa Ayu Agus Sukamto, Ika Sumiyarsi Sunariyani, P. E. A. Surudarma, I Wayan Vera Parwati, Kadek Sandra W. A. Wijaya Wiantini, Ni Made Rita Widhiastuti, K.A.P. Widjaja I N.K. Widjaja, I N. K Widjaja, I. N. K.