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Molecular Docking Analysis Of Phenolic and Flavonoid Compounds from Eichhornia Crassipes for Antidiabetic Activity Through Interaction with PPAR- γ (5Y2O) and A-Glucosidase (3TOP) Khoirunnisa Muslimawati; Taufik Muhammad Fakih; Nabila Hadiah Akbar; Aditya Maulana Perdana Putra; Nazhipah Isnani
Journal of Pharmascience Vol. 12 No. 2 (2025): Jurnal Pharmascience
Publisher : Universitas Lambung Mangkurat

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20527/jps.v12i2.23583

Abstract

Diabetes Mellitus Tipe 2 (DMT2), ditandai dengan resistensi insulin dan hiperglikemia. Penelitian ini mengevaluasi potensi 30 senyawa golongan fenolik dan flavonoid dari Eichhornia crassipes sebagai agen antidiabetes melalui studi in silico, meliputi uji toksisitas (ToxTree 3.1.0, ProTox 3), analisis ADME (SwissADME), dan molecular docking (AutoDock 4.2.6). Struktur ligan uji diperoleh dari PubChem, sedangkan reseptor PPAR-γ (PDB ID: 5Y2O) dan α-Glukosidase (PDB ID: 3TOP) diunduh dari RCSB Protein Data Bank. Sebelum docking, analisis toksisitas dan ADME dilakukan. Hasil docking menunjukkan Tricin (flavonoid) berinteraksi baik dengan kedua reseptor dan memiliki nilai energi Gibbs -7.53 kcal/mol untuk PPAR-γ dan -5.19 kcal/mol untuk α-Glukosidase, mendekati ligan asli Pioglitazone (-10.03 kcal/mol) dan Acarbose (-6.86 kcal/mol). Interaksi ligan-reseptor Tricin melibatkan ikatan hidrogen dan kontak hidrofobik dengan residu kunci (misalnya, ARG288 dan TYR pada PPAR- γ, residu GLN1561 dan GLN1372 pada α-Glukosidase), mencerminkan interaksi ligan asli. Prediksi toksisitas mengklasifikasikan Tricin sebagai senyawa dengan risiko toksisitas rendah (Cramer Rules Kelas I, Kroes TTC). Selanjutnya, evaluasi ADME menunjukkan bahwa Tricin memenuhi Lipinski's Rule of Five, yang mengindikasikan penyerapan dan bioavailabilitas oral yang baik. Secara keseluruhan, senyawa Tricin dari E. crassipes menunjukkan potensi signifikan sebagai kandidat agen antidiabetes melalui penghambatan PPAR-γ dan α-Glukosidase yang selanjutnya memerlukan validasi dnegan pengujian in vitro dan in vivo. Kata Kunci: Eichhornia crassipes, Molecular Docking, Antidiabetic, PPAR-γ, α-Glucosidase Type 2 Diabetes Mellitus (T2DM), is characterized by insulin resistance and persistent hyperglycemia. This study investigated the antidiabetic potential of 30 phenolic and flavonoid compounds derived from Eichhornia crassipes using in silico approaches, including toxicity assessments (ToxTree 3.1.0, ProTox 3), ADME analysis (SwissADME), and molecular docking (AutoDock 4.2.6). Ligand structures were retrieved from PubChem, while PPAR-γ (5Y2O) and α-Glucosidase (3TOP) receptors were obtained from the RCSB Protein Data Bank. Toxicity and ADME analyses were conducted prior to molecular docking, which employed the Genetic Algorithm with 50 conformations. Docking results revealed that Tricin (a flavonoid) exhibited strong interactions with both receptors, with Gibbs free energy values of -7.53 kcal/mol for PPAR-γ and -5.19 kcal/mol for α-Glucosidase. These values are comparable to those of the native ligands Pioglitazone (-10.03 kcal/mol) and Acarbose (-6.86 kcal/mol). Tricin formed hydrogen bonds and hydrophobic contacts with key active site residues including, ARG288 and TYR327 in PPAR-γ, GLN1561 and GLN1372 in α-Glucosidase), mirroring the interactions of the native ligands. Toxicity predictions classified Tricin as low risk (Class I Cramer Rules, Kroes TTC). Furthermore, ADME evaluation showed that Tricin (aglycone) is fully compliant with Lipinski's Rule of Five, suggesting favorable properties for oral absorption and bioavailability. In conclusion, Tricin from E. crassipes demonstrates significant potential as an antidiabetic candidate and warrants further in vitro and in vivo validation.
Gambaran Tingkat Pengetahuan Masyarakat Tentang Obat Kortikosteroid Deksametason Di Apotek Nuur Muhammad Banjarmasin Nazhipah Isnani; Putri Hayati; Muliyani Muliyani; Muhammad Tahdi
JEMPOL : Jurnal Elektronik Mahasiswa Polanka Vol 1 No 1 (2023)
Publisher : UPPM Politeknik Unggulan Kalimantan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52674/jmpl.v1i1.83

Abstract

Corticosteroids are a group of naturally occurring steroid hormones in humans that are produced by the adrenal cortex. Dexamethasone is the most potent synthetic drug and is a corticosteroid drug that is often used and sought after by the public, because of its ability to treat inflammation and allergies, ten times greater than that of prednisone. This research was conducted using a qualitative descriptive design with prospective data collection. This study uses primary data using a questionnaire. This research method is observational. The sampling technique used is Consecutive sampling, namely by selecting samples that meet the research criteria for a certain period of time so that the number of samples is met. The results of this study obtained as many as 40 respondents. The conclusion of this research as a whole is that the level of public knowledge about the corticosteroid drug dexamethasone at the Nuur Muhammad Banjarmasin pharmacy is included in the fairly good category (77.5%).
Gambaran Tingkat Pengetahuan, Sikap Dan Tindakan Masyarakat Dalam Pemanfaatan Tanaman Obat Keluarga (TOGA) Di Kelurahan Sungai Lulut Kecamatan Sungai Tabuk Haikal Rafi Maulana; Nazhipah Isnani; Nabila Hadiah Akbar; Muliyani Muliyani
JEMPOL : Jurnal Elektronik Mahasiswa Polanka Vol 1 No 1 (2023)
Publisher : UPPM Politeknik Unggulan Kalimantan

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52674/jmpl.v1i1.85

Abstract

TOGA is an abbreviation of family medicinal plants (TOGA). In essence, a toga is a piece of land, either in the yard, garden, or field, which is used to cultivate medicinal plants. The goal is to meet the family's medical needs. The existence of family medicinal plants in the home environment is very important, especially for families who do not have easy access to medical services. Understanding the benefits and efficacy of plant species to be safe, natural medicinal plants. The ancient Greeks who triumphed in 800 BC have also used about 63 species of medicinal plants using 657 types of plants. This study aims to describe the level of knowledge, attitudes and actions in the use of family medicinal plants (TOGA) in Sungai Lulut Village, Sungai Tabuk District. This research method uses a descriptive survey with accidental sampling technique, the population in this study are people who live in Sungai Lulut Village, Sungai Tabuk District, amounting to 1,002 people and getting a sample of 111 people. The results of this study indicate the level of knowledge of respondents about the use of TOGA in the category of good knowledge level as many as 29 respondents (26.12%), the level of attitude in the good category as many as 83 respondents (74.77%) and the level of action in the good category as many as 53 respondents (47 ,70%). The conclusion of this study is that the overall level of community knowledge about the use of TOGA plants is quite good (61.71%), the level of community attitude as a whole is good (82.21%) and the level of community action as a whole is quite good (69.90%)
Co-Authors Agustina, Ni Kadek Ayu Akbar, Nabila Hadiah Amali, Dzikra Aulia Andalusia, Rizka Anna Khumaira Sari Aulia, Hilya Auralia, Najma Ayuchecaria, Noverda Buih, Putri Helena Junjung Devia Pratiwi Dewi Wulandari Dewi Wulandari Dyah Aryani Perwitasari Enny Fauziah Fitria, Raudatul Haikal Rafi Maulana Haridini Intan Mahdi Haridini Intan Mahdi Haridini Intan Mahdi Hayatun Izma Hema Novita Redanti Hema Novita Redanti2 Henny Maryani Hikmah, Siti Nur Humaidy, Mizan Iqlima Iqlima Ira Maya Sari Izma, Hayatun Jamil, Muhammad Muhtadin Jhudi Bonosari Soediono Khairunnisa Khoirunnisa Muslimawati Khoirunnisa Muslimawati Kumala, Dinna Fitria Liling Triyasmono Lukman Mahdi Lukman Mahdi2 Mahdi, Haridini Intan Malahayati, Siti Maulida Rahmah Maulida, Khelda Melda Mochammad Maulidie Alfiannor Saputera Muhammad Arif Riyadi Muhammad Ikhwan Rizki Muhammad Muhatadin Jamil Muhammad Tahdi Muhammad Zaini Muhammad Zaini Muhammad Zaini Muliyani Muliyani Muliyani Muliyani Muliyani muliyani muliyani muliyani, muliyani muliyani muliyani, muliyani muliyani Nabila Hadiah Akbar Nabila Hadiah Akbar Nafi'ah Nafi'ah Nafi’ah, Nafi’ah Nur Aulya Aulya Popong Nur Apipah Putra, Aditya Maulana Perdana Putri Hayati Putri Sheila Wardhani Rahmatullah, Satrio Wibowo Ramadhani , Syahrizal Ravenalla Abdurrahman Al Hakim Sampurna Putra S Redanti, Hema Novita Rini Audina Rizka Andalusia Rizka Andalusia Rizka Andalusia Saksono, Reni Yustiati Samsul Hadi Samsul Hadi Samsul Hadi2 Sandi, Dita Aulia Dwi Sandi, Dita Ayulia Dwi Sari , Anna Khumaira Setiawan, Feri Siti Malahayati Taufik Muhammad Fakih Widodo, Ridho Dwi Wirawan Adikusuma Wulandari, Ihya