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All Journal Indonesian Journal of Pharmaceutical Science and Technology Majalah Farmasetika Kartika : Jurnal Ilmiah Farmasi Indonesian Journal of Chemical Science
Nurdin, Halwa Aulia
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Chemistry Computer Science & IT Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics Social Sciences

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STUDI IN SILICO SENYAWA AKTIF PADA DAUN SAMBILOTO (ANDROGRAPHIS PANICULATA) SEBAGAI INHIBITOR ANDROGEN PADA KANKER PROSTAT Davinali, Belva Annora Alfita; Stephanie, Manuela Joy; Hanifa, Hasya Qanita Ali; Aurelia, Khanna Ragita; Prasiska, Rizky; Nurdin, Halwa Aulia; Nuwarda, Rina Fajri
Kartika : Jurnal Ilmiah Farmasi Vol 9 No 2 (2024)
Publisher : Fakultas Farmasi Universitas Jenderal Achmad Yani, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.26874/kjif.v9i2.721

Abstract

Kanker prostat adalah penyakit kanker yang berkembang di sel-sel kelenjar prostat pria, yang dapat menyebar ke bagian tubuh lainnya, terutama tulang dan nodus limfa. Di Indonesia, kanker prostat menjadi kanker kelima yang paling umum terjadi pada pria, dan menempati urutan kedua kanker paling umum terjadi pada pria di dunia. Reseptor Androgen (AR) adalah protein reseptor yang berperan penting dalam pertumbuhan sel kanker prostat dan telah digunakan sebagai sel target untuk pengembangan obat terkait penyembuhan kanker prostat. Penelitian ini bertujuan untuk studi in silico aktivitas senyawa kimia pada daun tanaman sambiloto (Andrographis paniculata) untuk menghambat reseptor Androgen (1E3G) untuk mengobati kanker prostat. Penelitian dilakukan dengan metode molecular docking menggunakan perangkat lunak Chemdraw, Chem3D, AutoDockTools 1.5.6., BIOVIA Discovery Studio 2021, dan Ligandscout. Hasil penelitian menunjukkan bahwa senyawa Andrografolid mempunyai energi ikatan bebas terendah yaitu -10.73 KKal/mol serta interaksi pada beberapa residu asam amino yang sama dengan ligan alami, yaitu Metribolon. Karena itu dapat disimpulkan bahwa dari daun sambiloto senyawa andrografolid merupakan senyawa yang paling berpotensi dalam penghambatan reseptor Andorgen.  Kata kunci : Andrographolide, reseptor androgen, studi in silico   Abstract Prostate cancer is a malignancy in men’s prostate gland cells, which can spread to other parts of the body, most commonly bones and lymph nodes. In Indonesia, prostate cancer is the third most common type of cancer among men, and is the second most commoncancer in men in the world. Androgen receptor (AR) is a receptor protein that plays an important role in the growth of prostate cancer cells and has been used as a target cell for developing drugs for prostate cancer treatment. This research aims to study in silico the activity of chemical compounds in the leaves of the sambiloto plant (Andrographis paniculata) to inhibit the Androgen receptor (1E3G) to treat prostate cancer. Tests were Carried out with molecular docking method using the software Chemdraw 3D, AutoDockTools 1.5.6., BIOVIA Discovery Studio 2021, and Ligandscout. The results showed that Andrographolid compounds had the lowest free bond energy of -10.73 KKal/mol and interactions in several amino acid residues that were the same as natural ligands, namely Metribolon. Therefore, it can be concluded that from sambiloto leaves, andrographolid compounds are the most potential compounds in inhibiting Andorgen receptors. Keywords : Andrographolide, Androgen receptor, in silico study.
In Silico Study of Secondary Metabolite in Asiatic Pennywort (Centella asiatica) as a Drug Compound for Blood Cancer  (Acute Lymphoblastic Leukemia (ALL)) Targeting JAK-2 Receptor Anjelina, Martina; Renaldi, Fahri; Shabira, Kalya Kama; Febriyanti, Selly Trianingrum; Wulandari, Rizky Prasiska; Nurdin, Halwa Aulia; Nuwarda, Rina Fajri
Indonesian Journal of Chemical Science Vol. 14 No. 1 (2025): Indonesian Journal of Chemical Science
Publisher : Prodi Kimia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.15294/ijcs.v14i1.8946

Abstract

Acute Lymphoblastic Leukemia (ALL) is a type of cancer with clinical manifestations such as fever, pallor, bleeding, children appear lethargic, bone and joint pain, enlarged liver, spleen, and enlarged lymph. One of the causes of ALL is due to mutations in the JAK-2 receptor. The purpose of this In Silico study is to find new candidate compounds as ALL therapy in Asiatic Pennywort (Centella asiatica) plant by Lipinski’s RO5 analysis, ADME-Tox, pharmacophore modelling, and molecular docking. The results showed that luteolin can be declared as a lead compound in Asiatic Pennywort plant that has potential in the treatment of acute lymphoblastic leukemia due to its interaction with JAK-2 receptor with an inhibition constant of 0.23736 uM and binding energy of -9.04 kcal/mol. In addition, the predictions of Lipinski's RO5 and ADME-Tox luteolin also meet the requirements to be made into oral preparations and further research can be carried out.
Evaluasi Emisi Karbon Dioksida (CO₂) Proses Granulasi pada Produksi Tablet Y di Pabrik X Nurdin, Halwa Aulia; Saptarini, Nyi Mekar; Bactiar, Bagus Muhti
Majalah Farmasetika Vol 11, No 1 (2026)
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/mfarmasetika.v11i1.68236

Abstract

Emisi karbon dioksida (CO₂) merupakan indikator penting dalam menilai dampak aktivitas energi dan industri terhadap lingkungan. Pada tahun 2024, total emisi CO₂ dari penggunaan bahan bakar fosil dan industri di Indonesia mencapai 812,22 juta ton, yang setara dengan 2,1% dari total emisi global dan 3,47% dari total emisi CO₂ benua asia. Meskipun kontribusi sektor industri tertentu relatif kecil dalam skala nasional, emisi dari proses produksi tetap memberikan dampak yang signifikan pada akumulasi emisi jangka panjang. Penelitian ini bertujuan untuk mengevaluasi proses granulasi tablet Y di Pabrik X dengan metode observasional-deskriptif pendekatan kuantitatif. Penelitian dilakukan dengan mengkaji durasi pelaksanaan serta emisi CO₂ yang dihasilkan selama proses granulasi tablet Y yang diproduksi pada periode Januari-Desember 2024. Proses granulasi dilakukan dalam sistem batch dengan kapasitas 845.000 kg (1.300.000 tablet) per batch. Hasil yang didapatkan proses granulasi tersebut menghasilkan emisi sebesar 596.409 gram per batch dan mencapai 40,5 ton per tahun. Temuan ini menegaskan bahwa upaya mitigasi pada level industri memiliki peranan penting dalam mendukung strategi pengurangan emisi nasional serta pencapaian target pengendalian perubahan iklim.
In Silico Screening of Soursop Leaf (Annona muricata L.) Secondary Metabolites as Potential Estrogen Receptor Alpha Inhibitors Kautsar, Fachrizal Dwi; Sianipar, John Ebenezer; Haiba, Ulaya Warda; Fathinabila, Neysa Zahra; Wulandari, Rizky Prasiska; Nurdin, Halwa Aulia; Nuwarda, Rina Fajri
Indonesian Journal of Pharmaceutical Science and Technology Vol 12 (2025): Vol. 12 Suppl. 3
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v12i3.70710

Abstract

Breast cancer is the most prevalent malignancy among women worldwide. Estrogen receptor alpha (ERα) plays a critical role in regulating cancer cell proliferation, differentiation, and survival, making it an important therapeutic target. Annona muricata Linn. has attracted considerable attention because its leaves contain diverse secondary metabolites with reported anticancer activities, making them a promising source of potential ERα inhibitors. Therefore, this study aimed to evaluate the inhibitory potential of ten selected secondary metabolites from A. muricata leaves against ERα using an in silico approach. Drug-likeness and pharmacokinetic properties were assessed using Lipinski’s Rule of Five and ADMET prediction. Ligand-based pharmacophore modeling was performed, followed by pharmacophore-based virtual screening and molecular docking. Four compounds, namely chlorogenic acid, luteolin, quercetin, and daidzein, fulfilled the pharmacophore criteria with fit scores of 47.17; 47.17; 47.17; and 46.97, respectively, and were subsequently evaluated by molecular docking. Among them, daidzein exhibited the strongest inhibitory potential, with a binding free energy of −8.56 kcal/mol and an inhibition constant of 513.26 nM. Overall, these findings suggest that daidzein is the most promising secondary metabolite of A. muricata leaves for ERα inhibition and may serve as a lead compound for further computational and experimental validation.
Co-Authors Anjelina, Martina Aurelia, Khanna Ragita Bactiar, Bagus Muhti Davinali, Belva Annora Alfita Fathinabila, Neysa Zahra Febriyanti, Selly Trianingrum Haiba, Ulaya Warda Hanifa, Hasya Qanita Ali Kautsar, Fachrizal Dwi Nyi Mekar Saptarini Prasiska, Rizky Renaldi, Fahri Rina Fajri Nuwarda, Rina Fajri Shabira, Kalya Kama Sianipar, John Ebenezer Stephanie, Manuela Joy Wulandari, Rizky Prasiska