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All Journal VALENSI Jurnal Kimia (Journal of Chemistry) JURNAL KIMIA SAINS DAN APLIKASI Bionatura Indonesian Journal of Applied Sciences Majalah Kedokteran Bandung Jurnal Penelitian Hasil Hutan Journal of Mathematical and Fundamental Sciences Jurnal Riset Kimia Al-Kimia Chimica et Natura Acta ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry Molekul: Jurnal Ilmiah Kimia Jurnal Penelitian Hasil Hutan Journal of Nursing Practice and Education Indonesia Journal of Midwifery Sciences Jurnal Ilmiah Berkala Sains dan Terapan Kimia Makara Journal of Science Molekul: Jurnal Ilmiah Kimia Jurnal Penelitian Hasil Hutan
Nurlelasari Nurlelasari
Jurusan Kimia, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Padjadjaran
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Decision Sciences, Operations Research & Management Earth & Planetary Sciences Energy Engineering Environmental Science Health Professions Immunology & microbiology Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Nursing Physics Public Health

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A New Limonoid from the Seeds of Chisocheton lasiocarpus (Meliaceae) Ronauli Fitriana; Nurlelasari Nurlelasari; Darwati Darwati; Desi Harneti; Rani Maharani; Tri Mayanti; Unang Supratman
ALCHEMY Jurnal Penelitian Kimia Vol 17, No 2 (2021): September
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.17.2.44782.219-226

Abstract

 A New Limonoid from the Seeds of Chisocheton lasiocarpus (Meliaceae). Chisocheton is one of Meliaceae genus, which has about 53 species spreading in subtropical and tropical regions. One of the species is Chisocheton lasiocarpus. Chisocheton is rich in limonoids that have various biological activities such as anticancer, antimalarial, anti-inflammatory, antifeedant, antiviral, neuroprotective, and antimicrobial properties. This study aims to isolate limonoids from the seeds of C. lasiocarpus, and determine the structures. The dry powder of seeds of C. lasiocarpus (203.75 g) was macerated with subsequent n-hexane, ethyl acetate, and methanol. Extract of ethyl acetate was separated and purified using chromatography methods until a new limonoid, lasiocarpines (1) and one known limonoid, 14β,15β-epoxynimonol (2) were obtained. The purification process was guided by Ehrlich reagent. The chemical structures were identified by UV, IR, 1H-NMR, 13C-NMR, 2D NMR, and mass spectrometry.
Studi In Silico Aktivitas Senyawa Steroid Terhadap Antikanker Payudara Menggunakan Estrogen Alfa (ER-α) Nurlelasari Nurlelasari; Almas Widyana; Euis Julaeha; Ari Hardianto; Desi Harneti Putri Huspa; Rani Maharani; Tri Mayanti; Darwati Darwati; Muhammad Hanafi; Unang Supratman
ALCHEMY Jurnal Penelitian Kimia Vol 19, No 1 (2023): March
Publisher : UNIVERSITAS SEBELAS MARET (UNS)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20961/alchemy.19.1.62384.44-52

Abstract

Kanker payudara merupakan penyebab kedua terbanyak kematian pada wanita akibat kanker setelah kanker paru-paru di seluruh dunia. Steroid merupakan kelompok senyawa aktif yang diantaranya berhasil diisolasi dari genus Chisocheton yang dilaporkan memiliki aktivitas melawan sel kanker payudara MCF-7. Tujuan penelitian ini adalah untuk mengetahui interaksi senyawa steroid terhadap estrogen alfa (ER-α) melalui metode in silico, yaitu penambatan molekul. Pemodelan struktur tiga dimensi (3D) senyawa steroid dilakukan dengan memperhatikan keadaan terprotonasinya pada pH 7,4. Metode in silico divalidasi melalui penambatan ulang struktur kristal ER-α, hingga diperoleh nilai RMSD < 2 Å, dengan program AutoDock 4.2.6. Dengan program yang sama, senyawa-senyawa steroid ditapis dengan metode penambatan molekul. Hasil penapisan menghasilkan nilai energi bebas dari kedua senyawa steroid yaitu -10,08 kkal/mol (7α-hidroksi-β-sitosterol) dan -10,75 kkal/mol (stigmast-5-en-3β-ol), yang nilainya lebih baik dari estradiol (-9,62 kkal/mol), sebagai ligan alami ER-α. Kedua senyawa ini berpotensi untuk menginhibisi estrogen alfa, dimana senyawa stigmast-5-en-3β-ol memiliki potensi yang lebih besar karena nilai energi bebasnya lebih rendah. Hal ini menandakan bahwa modifikasi struktur senyawa mampu mengubah nilai energi ikatan dan interaksi antara ligan dan reseptor.In Silico Study of Steroid Compound Activity Against Breast Cancer Using Estrogen Alpha (ER-α). Breast cancer is the second worldwide leading cause of cancer death in women after lung cancer. Steroids are a group of active compounds isolated from the Chisocheton genus that has activity against MCF-7 breast cancer cells. This study aimed to determine the interaction activity of steroid compounds against alpha estrogen receptor (ER-α) through in silico method specifically mlecular docking. The modeling of the three-dimensional structure (3D) of steroid compounds was performed by considering their protonation states at pH 7.4. The in silico method was validated by redocking the crystal structure of ER-α until obtaining an RMSD value < 2 Å, using the AutoDock 4.2.6 program. Steroids compounds were screened with the same program namely the molecular docking method. Screening results show that the free energy values of the steroid compounds were -10.08 kcal/mol (7α-hydroxy-β-sitosterol) and -10.75 kcal/mol (stigmast-5-en-3β-ol), which are stronger than estradiol (-9.62 kcal/mol) as native ligand of ER-α. Both of these compounds can inhibit the alpha estrogen receptor, in which the stigmast-5-en-3β-ol compound has a greater potential because of its lower free energy value. This finding indicates that modification of the compound's structure could change the binding energy value and interaction between ligands and receptors.
Co-Authors A. T. Hidayat1 Ace Tatang Hidayat Achmad Zainuddin Agus Safari Agus Safari Agus Safari Agus Safari Akhmad Darmawan Al Arofatus Naini Al Arofatus Naini Albayyinah, Dyandra Hera Almas Widyana Amalia, Riezki Anastasya Firdausi Andi Rahim Anggit Kartikasari Anjari, Intan Hawina Ari Hardianto Astrid Novita, Astrid Awang, K. - Azmi, Mohamad Nurul Christina Marpaung D. D. Harneti D. Darneti D. G. Katja D. Harneti D. Sumiarsa Dadan Sumiarsa Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati, Darwati Desi Harnet Desi Harneti Desi Harneti Desi Harneti Putri Huspa Dessy Yulyani Kurnia Dewa Gede Katja Dewa Gede Katja Dewa Gede Katja Dini Oktaviani DUDI RUNADI E. Julaeha Erina Hilmayanti Erina Hilmayanti Erina Hilmayanti Euis Julaeha Euis Julaeha Faizah Maira Fajar Fauzi Abdullah Fajar Fauzi Abdullah Fajar Fauzi Abdullah Farabi, Kindi Ferry Ferdiansyah Sofian, Ferry Ferdiansyah Ghina Izdihar Ghina Uli Felicia Tambunan Gunawan, Latifah Hafiz, Ersanda Harizon Harizon Harneti, D - Herdanu Rizqullah Hersa Milawati Hersa Milawati Hesti Lina Wiraswati Hilmayanti, Erina Ida Nur Farida Ida Nurfarida Intan Rahmayanti Iqbal Wahyu Mustaqim Iryanto, Y. - J. Sianturi Jamaludin Al-Anshori Julaeha, E. - Julita Nahar K. K. Farabi K. K. Haikal Kansy Haikal Khadijah Awang Khairunnisa, Shofiyah Khalijah Awang Khalijah Awang Khalijah Awang Khalijah Awang Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi Kindi Farabi M. M. Muhammad Ma'ruf, Ilma Fauziah Mayanti, T. - Moelyono Moektiwardoyo Mohamad Fajar Mohamad Nurul Azmi Mohamad Nurul Azmi Mohamad Nurul Azmi Mohamad Nurul Azmi Muchlis, Handi Nugraha Muflihah, L.F - Muhamad Nurul Azmi Muhammad Hanafi Muhammad Hanafi Muhammad Hanafi Mustaqim, Iqbal Wahyu Mustofa, Hidayat Nurul Nadya Thufaila Nafiah, Mohamad Azlan Naini, Al Arofatus Nita Ike Dwi Kurniasih Nur Muhammad Miftah Nurabi Ferdiana Permadi, Nandang Purnama Purnama Purnama Purnama Purnama Purnama Puspa, H - R. Maharani R. Maharani R. R. Maharani Rani Maharani Rani Maharani Rani Maharani Rani Maharani Rani Maharani Rima Melati Risyandi Anwar Rizky Abdullah Ronauli Fitriana Russiska Russiska S. Salam S. Soidah Sabarudin, L. - Safari, A - Safri Ishmayana Salam, Supriatno Samuel San Parulian Sari, Aprilia Permata Shabarni Gaffar Shiono, Yoshihito Sinaga, Siska Elisahbet Siska Mulya Octavia Siska Mulya Octavia Siti Hani Pratiwi Sofa Fajriah Sofa Fajriah Sofa Fajriah Sofa Fajriah Sri Purwani Subekti Mauluddin Supriatno Salam Supriatno Supriatno T. Mayanti Tambunan, Ghina Uli Felicia Tati Herlina Tiara Prima Amalya Tri Mayanti Tri Mayanti Tri Mayanti Tri Mayanti Tri Mayanti Tri Mayanti U. Supratman U. U. Supratman Unang Supratman Unang Supratman Unang Supratman Vidia Afina Nuraini Wardoyo, M.M - Winda Sukmawati Winda Sukmawati Y. P. Apriantini Y. Shiono Y. Y. Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Zulfikar Zulfikar