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All Journal Media Penelitian dan Pengembangan Kesehatan Pharmaciana: Jurnal Kefarmasian Sainteknol : Jurnal Sains dan Teknologi Jurnal Ilmu Farmasi dan Farmasi Klinik (Journal of Pharmaceutical Science and Clinical Pharmacy) Pharmascience JITEK (Jurnal Ilmiah Teknosains) Chimica et Natura Acta Indonesian Journal of Chemistry Majalah Farmasi dan Farmakologi (Trends in Pharmacy and Pharmaceutical Sciences) SELAPARANG: Jurnal Pengabdian Masyarakat Berkemajuan PengabdianMu: Jurnal Ilmiah Pengabdian kepada Masyarakat Jurnal Ilmiah Cendekia Eksakta Jurnal Inovasi Teknik Kimia Jurnal Riset Teknologi Industri Journal of Multidisciplinary Applied Natural Science Generics: Journal of Research in Pharmacy Generics : Journal of Research in Pharmacy Jurnal Pengabdian Widya Dharma Sainteknol : Jurnal Sains dan Teknologi
Anita Dwi Puspitasari
Fakultas Farmasi, Universitas Wahid Hasyim
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Energy Engineering Environmental Science Health Professions Immunology & microbiology Industrial & Manufacturing Engineering Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Mechanical Engineering Medicine & Pharmacology Nursing Physics Public Health Social Sciences Veterinary Other

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Studi Penambatan Molekul Senyawa Metabolit Sekunder Batang Kayu Manis (Cinnamomum burmanni) sebagai Kandidat Obat Antidiabetes Mellitus Tipe II Puspitasari, Anita Dwi; Murti, Nugrahaeni Kresna; Samsuri, Ahmad; Shofiyah, Jihan Labiba Nur
Chimica et Natura Acta Vol 12, No 2 (2024)
Publisher : Departemen Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/cna.v12.n2.53563

Abstract

Diabetes Mellitus (DM) tipe II merupakan penyakit kronis yang prevalensinya semakin meningkat setiap tahunnya. Salah satu strategi terapi untuk pengobatan DM tipe II melalui penghambatan enzim α-glucosidase. Dalam beberapa tahun terakhir, pencarian obat antidiabetes alami semakin populer. Ekstrak batang kayu manis (Cinnamomum burmanni) diketahui berpotensi sebagai antidiabetes. Penelitian ini bertujuan untuk mengidentifikasi senyawa metabolit sekunder dari batang kayu manis (Cinnamomum burmanni) yang paling potensial sebagai inhibitor α-glucosidase secara in silico. Sembilan senyawa metabolit sekunder hasil isolasi batang kayu manis dari penelitian sebelumnya dilakukan penambatan molekul terhadap enzim α-glucosidase kode PDB 2JKE dengan pembanding miglitol dan dianalisis berdasarkan energi pengikatannya. Hasil penelitian menunjukkan bahwa kode PDB 2JKE valid dengan nilai RMSD 0,2912 Å. Berdasarkan analisis penambatan molekul, senyawa nerolidol memiliki score docking (-81,165) yang lebih kecil dibandingkan miglitol (-80,2642) sehingga secara teoritis senyawa nerolidol memiliki penghambatan yang lebih baik terhadap enzim α-glucosidase dibandingkan miglitol. Selain itu, profil ADMET menunjukkan bahwa nerolidol tidak melanggar Lipinski Rules dan tidak toksik.
Ultrasound Assisted Ethanolic Extraction of Ipomoea reptans Poir Leaves Antioxidant Activities, Total Phenolic and Flavonoids Arum, Nabila Setri Sekar; Puspitasari, Anita Dwi
Sainteknol : Jurnal Sains dan Teknologi Vol. 22 No. 2 (2024): December 2024
Publisher : Universitas Negeri Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/sainteknol.v22i2.5331

Abstract

Ipomoea reptans Poir leaves contain phenolic and flavonoid compounds that can reduce free radicals and prevent diseases such as cardiovascular disease, coronary heart disease, and cancer. The drawback of conventional extraction is that it takes a long time, so a shorter extraction method is needed, one of which is the ultrasonic method. This study aims to test the antioxidant activity of ethanol extract of Ipomoea reptans Poir leaves extracted by ultrasonic method and determine the total phenolic and flavonoid content. Ipomoea reptans Poir leaves were extracted using the ultrasonic method at 50oC for 30 minutes with 70% ethanol solvent to obtain ethanol extract of Ipomoea reptans Poir leaves. Antioxidant activity test of ethanol extract of Ipomoea reptans Poir leaves using DPPH method and vitamin C as a comparison. Determination of total phenolic content using gallic acid with a maximum wavelength of 745.20 nm and operating time of 120 minutes. Determination of total flavonoid content using quercetin with a wavelength of 439.60 nm and operating time of 30 minutes. The results showed that the antioxidant activity of Ipomoea reptans Poir leaves obtained an IC50 value of 40.62 ppm (very strong). Total phenolic and flavonoids were 78.33 mgGAE/g extract and 1.03 mgQE/g extract.
Molecular Docking and ADMET Evaluation of Fluoro-Hydroxyxanthone Derivatives as Potential Estrogen Receptor Alpha Inhibitors Puspitasari, Anita Dwi
Jurnal Ilmu Farmasi dan Farmasi Klinik Vol. 22 No. 2 (2025): Jurnal Ilmu Farmasi dan Farmasi Klinis
Publisher : Universitas Wahid Hasyim Semarang

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.31942/jiffk.v22i2.14236

Abstract

Fluoro-hydroxyxanthone derivatives (X1–X10) were investigated as potential inhibitors of estrogen receptor alpha (ER-α) through molecular docking and in silico ADMET profiling. The docking protocol was validated through a redocking procedure, yielding a Root Mean Square Deviation (RMSD) of 0.81 Å, which confirmed the method's reliability.  Compounds X6–X10 demonstrated favorable binding affinities ranging from −7.32 to −7.46 kcal/mol, although these values remained lower than those of the native ligand, estradiol (−10.69 kcal/mol), and tamoxifen (−9.21 kcal/mol). These compounds formed key hydrogen bond interactions with Glu353 and Arg394, similar to estradiol, suggesting a correct binding orientation within the receptor's ligand-binding domain. Structural modifications, particularly the introduction of hydroxyl and fluoro substituents, contributed to the enhanced binding energies observed in these top-performing compounds. ADMET analysis further indicated that compounds X6–X10 complied with Lipinski's Rule of Five, had acceptable oral bioavailability, metabolic stability, and the ability to cross the blood–brain barrier. However, all derivatives were predicted to exhibit mutagenic potential and hepatotoxicity, which may limit their safety profiles. In conclusion, fluoro-hydroxyxanthone derivatives, especially X6–X10, represent promising molecular scaffolds for further optimization and development as potential anti-breast cancer agents targeting ER-α
Co-Authors Afrellia, Rika Eka Ana Khustiana Arum, Nabila Setri Sekar Cicih Sumiarsih Devi Nisa Hidayati Dewi Andini Kunti Mulangsri, Dewi Andini Kunti Dian Bekti Murwati Dyah Ayu Setyowati Eka Intan Kusuma Wardhani Elya Zulfa Emy Susanti Farikha Maharani Faris Hermawan, Faris Fatmasari, Nela Feristasari Fatmawati Anwar Fikriyyah, Shafa Harno Dwi Pranowo Herlina Herlina Ikke Safitri Indah Hartati Intan Irawan Jumina Jumina Khoirul Anwar Khoirul Anwar Kurniawan, Yehezkiel Steven Lailatul Badriyah Lathifah Puji Hastuti Lean Syam Prayogo Lean Syam Proyogo Lean Syam Proyogo Maria Ulfah Marini, Yeni Marlina, Lala Adetia Maulita Cut Nuria Munifilia Ekasari Murti, Nugrahaeni Kresna Nouvia Gusty Auliyatul Faizah Nugroho, Rahmadinda Maharani Nurul Eka Yuita Pasha, Salsabilla Putri Buana Putra, Nicky Rahmana Putri Nara Aqidah Pawae Putri, Galuh Lukita Rahmatun, Mutia Ririn Lispita Wulandari Samsuri, Ahmad Shofiyah, Jihan Labiba Nur Siti Maisyaroh Bakti Pertiwi Subadriyah, Subadriyah Sulastri Sulastri Sumantri Sumantri Sumantri Sumantri Sumantri Sumantri Umroh Mahmudah vifta, rissa laila Widya Novita Sari