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All Journal VALENSI Jurnal Kimia (Journal of Chemistry) Indonesian Journal of Applied Sciences Journal of Mathematical and Fundamental Sciences Indonesian Journal of Pharmaceutical Science and Technology Al-Kimia Chimica et Natura Acta ALCHEMY Jurnal Penelitian Kimia Indonesian Journal of Chemistry Molekul: Jurnal Ilmiah Kimia Indonesian Journal of Medical Sciences and Public Health Jurnal Ilmiah Berkala Sains dan Terapan Kimia Makara Journal of Science Molekul: Jurnal Ilmiah Kimia
Desi Harneti Putri Huspa
Departemen Kimia, Fakultas Matematika Dan Ilmu Pengetahuan Alam, Universitas Padjadjaran, Bandung
Agriculture, Biological Sciences & Forestry Astronomy Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Computer Science & IT Earth & Planetary Sciences Energy Engineering Environmental Science Health Professions Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Physics Public Health Veterinary

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Synthesis of Two Analogues of Xylapeptide A and Their Potency as New Antimicrobial Agent Maharani, Rani; Muchlis, Handi Nugraha; Hidayat, Ace Tatang; Al-Anshori, Jamaludin; Nurlelasari, Nurlelasari; Harneti, Desi; Mayanti, Tri; Farabi, Kindi; Supratman, Unang
Indonesian Journal of Chemistry Vol 25, No 5 (2025)
Publisher : Universitas Gadjah Mada

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.22146/ijc.100353

Abstract

Xylapeptide A, derived from the fungus Xylaria sp. x Sophora tonkinensis, exhibits potent and selective antimicrobial properties. Our research group has successfully synthesized xylapeptide A. In our recent work, two xylapeptide A analogues (An1 and An2) were synthesized using a combination of solid- and solution-phase synthesis methods. The linear precursors of An1 and An2 were synthesized on 2-CTC resin with the Fmoc strategy. The coupling reagents HBTU/HOBt and HATU/HOAt were employed. Subsequently, the linear precursor was cleaved from the resin using either 20% TFA or a TFE mixture, and then cyclized in solution phase with HBTU. The synthesized products were purified using semi-preparative RP-HPLC, giving the percent yields 16% for An1 and 12% for An2. Both compounds were then characterized by HR-ToF-MS, 1H- and 13C-NMR. The synthesized xylapeptide A and its analogues were evaluated against Bacillus cereus, Bacillus subtilis, Staphylococcus aureus, Enterococcus faecalis, Escherichia coli, Klebsiella pneumoniae, and Candida albicans. The result showed that An2, possessing arginine residue, exhibited higher activity compared to xylapeptide A and An1. This research suggests that xylapeptide A analogues hold great promise as novel antimicrobial agents.
Penta- and Tetra-cyclic Triterpenoids from Aglaia cucullata Stembark and Cytotoxicity against Cancer and Normal Cells Farabi, Kindi; Safriansyah, Wahyu; Harneti, Desi; Kuncoro, Hadi; Fajriah, Sofa; Supratman, Unang
Journal of Mathematical and Fundamental Sciences Vol. 57 No. 2 (2025)
Publisher : Directorate for Research and Community Services (LPPM) ITB

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.5614/j.math.fund.sci.2025.57.2.1

Abstract

Three triterpenoid compounds, belonging to the penta- and tetracyclic groups, were successively isolated from the stembark of Aglaia cucullata and identified as b-amyron (1), dammaradienon (2), and cabralealactone (3). After extensive extraction, chromatographic separation and purification, compounds 1 to 3 were gained. Spectroscopic analysis in addition to HRMS, FTIR, 1D and 2D NMR analysis were utilized to determine the chemical structure. After that, compounds 1 to 3 were tested against breast cancer, melanoma as well as normal kidney cells (MCF-7, B16-F10, and CV-1, respectively). The resulted cytotoxicity test revealed that compound 1 had the best cytotoxicity against all cells compared with the other isolated compounds. This result suggests that the pentacyclic triterpenoid core in compound 1 increases cytotoxicity compared with a tetracyclic skeleton.
Studi In Silico Aktivitas Senyawa Steroid Terhadap Antikanker Payudara Menggunakan Estrogen Alfa (ER-α) Nurlelasari, Nurlelasari; Widyana, Almas; Julaeha, Euis; Hardianto, Ari; Huspa, Desi Harneti Putri; Maharani, Rani; Mayanti, Tri; Darwati, Darwati; Hanafi, Muhammad; Supratman, Unang
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.
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.
Co-Authors Ace Tatang Hidayat Achmad Zainuddin Ade Zuhrotun Agus Safari Agus Safari Agus Safari Agus Safari Al Arofatus Naini Anastasya Firdausi Andi Rahim Andre A. Sonda Anjari, Intan Hawina Annisa Abdiwijaya Qaromah Aprilia Permata Sari Ari Hardianto Asep Supriadin Asri Peni Wulandari Azmi Azhari, Azmi Azmi, Mohamad Nurul Celcius Waranmaselembun Christina Marpaung Dadan Sumiarsa Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati Darwati, Darwati, Darwati Dessy Yulyani Kurnia Dewa Gede Katja Dewa Gede Katja Dini Oktaviani DUDI RUNADI Erina Hilmayanti Euis Julaeha Euis Julaeha Euis Julaeha Evan Hadrian Faizah Maira Fajar, Mohamad Farabi, Kindi Ferry Ferdiansyah Sofian, Ferry Ferdiansyah Ghina Izdihar Gunawan, Latifah Hadi Kuncoro Hadi Kuncoro Harizon Harizon Herdanu Rizqullah Hersa Milawati Hersa Milawati Hersa Milawati Hideo Hayashi Hideo Hayashi Hideo Hayashi Hilmayanti, Erina Ida Nur Farida Ida Nurfarida Ihsan Rahadian Intan Hawina Anjari Intan Rahmayanti Iqbal Wahyu Mustaqim Jamaludin Al-Anshori Julinton Sianturi Julinton Sianturi Kansy Haikal Karen Kezia Lolowang Khalijah Awang Khalijah Awang Khalijah Awang 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 Mayshah Purnamasari Milawati, Hersa Moelyono Moektiwardoyo Mohamad Fajar Mohamad Fajar Mohamad Nurul Azmi Mohamad Nurul Azmi Mohamad Nurul Azmi Mohamad Nurul Azmi Mohamad Nurul Azmi bin Mohamad Taib Muchlis, Handi Nugraha Muhamad Nurul Azmi Muhammad Hanafi Muhammad Hanafi Mustaqim, Iqbal Wahyu Mustofa, Hidayat Nurul Nafiah, Mohamad Azlan Naini, Al Arofatus Nunung Kurniasih Nunung Kurniasih Nunung Kurniasih, Nunung Nur Muhammad Miftah Nurabi Ferdiana Nurlelasari Nurlelasari Pratama, Galih Bayu Primahana, Gian Purbaya, Sari Purnama Purnama Purnama Purnama Purnama Purnama Rani Maharani Rani Maharani Ricson Pemimpin Hutagaol Risyandi Anwar Rizky Abdulah Rizky Abdullah Ronauli Fitriana Safri Ishmayana Safriansyah, Wahyu Salam, Supriatno Sari, Aprilia Permata Shabarni Gaffar Shiono, Yoshihito Sianturi, Julinton Siska Mulya Octavia Siska Mulya Octavia Siti Hani Pratiwi Sofa Fajriah Sofa Fajriah Sofa Fajriah Srikandi, Srikandi Subekti Mauluddin Supriatno Salam Tiara Prima Amalya Tjandrawati Mozef Tri Mayanti Tri Mayanti Tri Mayanti Unang Supratman Vidia Afina Nuraini Widyana, Almas Winda Sukmawati Winda Sukmawati Yeni Mulyani Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono Yoshihito shiono Yoshihito Shiono Yoshihito Shiono Yoshihito Shiono