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PEMODELAN FARMAKOFOR, SKRINING VIRTUAL, DAN PENAMBATAN MOLEKUL SENYAWA METABOLIT DALAM EKSTRAK DAUN SALAM (Syzygium polyanthum (Wight) Walp.) SEBAGAI SENYAWA ANTIHIPERTENSI Fatimah, Diah Siti; Oktaviani, Dede Jihan; Widiyastuti, Shella; Arnanda, Quinzheilla Putri; Lestari, Shinta; Ramadhan, Saqila Alifa; Megantara, Sandra
JURNAL FARMASI GALENIKA Vol 7 No 2 (2020): Jurnal Farmasi Galenika Volume 7 No. 2
Publisher : Universitas Bhakti Kencana

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70410/jfg.v7i2.169

Abstract

Hipertensi merupakan penyakit tidak menular yang banyak diderita masyarakat dunia dengan adanya peran dari angiotensin converting enzyme (ACE). Daun salam (Syzygium polyanthum (Wight) Walp.) merupakan tumbuhan yang banyak mengandung golongan metabolit sekunder yang memiliki aktivitas sebagai antihipertensi. Tujuan dilakukan penelitian ini adalah untuk mengetahui senyawa aktif pada daun salam yang memiliki aktivitas sebagai antihipertensi. Metode yang dilakukan adalah teknik in silico yang terdiri dari pemodelan farmakofor, skrining virtual, dan penambatan molekular terhadap metabolit sekunder dalam daun salam. Parameter yang digunakan dalam penelitian berupa pharmacophore fit score, % hit rate, % yield, nilai Area Under Curve (AUC), nilai Lipinski’s Rule of Five, energi Gibbs, dan nilai Root Mean Square Deviation (RMSD). Hasil validasi model farmakofor menunjukkan nilai pharmacophore fit score sebesar 48,49; hit rate sebesar 88,80% ; AUC100% sebesar 0,82; dan nilai EF1% sebesar 1,1. Hasil pemodelan farmakofor dari gugus aktif menunjukkan bahwa terdapat tiga gugus akseptor hidrogen. Hasil skrining virtual dengan asam galat menunjukkan hit rate 100%, nilai pharmacophore fit score sebesar 48,03%, dan memenuhi semua kriteria Lipinski’s Rule of Five. Hasil penambatan molekul ligan asam galat dengan reseptor ACE diperoleh afinitas terbaik pada ?G = -6,1 kkal/mol dan RMSD 0,00. Hal ini menunjukkan bahwa asam galat memiliki afinitas yang kurang baik terhadap reseptor ACE dibandingkan dengan enalaprilat dengan ?G = -9,1 kkal/mol.
Review: Sintesis Senyawa Turunan Andrografolid pada Gugus Hidroksil C-14 Sabila, Rusydina; Megantara, Sandra; Saputri, Febrina Amelia
Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice) Vol. 7 No. 2 (2020): Oktober
Publisher : Faculty of Pharmacy, Widya Mandala Surabaya Catholic University, Indonesia

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.33508/jfst.v7i2.2508

Abstract

Andrografolid merupakan suatu diterpenoid lakton yang terkandung dalam tanaman sambiloto (Andrographis paniculata) sebagai senyawa aktif utama. Andrografolid memiliki banyak aktivitas biologis, diantaranya sebagai antiinflamasi, antikanker, hepatoprotektor, antioksidan, antidiabetes, antihiperlipidemia, antibakteri, dan antivirus. Untuk meningkatkan sifat fisikokimia dan mengoptimalkan aktivitas terapeutik dari andrografolid, diperlukan modifikasi struktur andrografolid. Pada review ini akan dibahas mengenai metode yang dapat dilakukan dalam memodifikasi struktur andrografolid terutama pada gugus hidroksil C-14 dan membandingkan potensi dari aktivitas biologisnya setelah dimodifikasi. Terdapat dua metode modifikasi yaitu dengan cara memproteksi gugus hidroksil C-3 dan C-19 terlebih dahulu untuk menghasilkan senyawa 3,19-isopropiliden andrografolid yang kuat terhadap serangan nukleofil dan cara kedua yaitu langsung mereaksikannya dengan klorida asam dengan bantuan amina tersier seperti trietilamin dan piridin. Dari hasil review didapatkan bahwa modifikasi terhadap gugus hidroksil C-14 dapat meningkatkan potensi aktivitas biologis andrografolid dan metode yang paling baik untuk memodifikasi andrografolid pada gugus hidroksil C-14 yaitu dengan cara memproteksi gugus hidroksil C-3 dan C-19 terlebih dahulu serta mereaksikannya dengan klorida asam atau anhidrida asam agar diperoleh rendemen yang lebih banyak.
REVIEW OF THE PHYTOTHERAPY FOR NEPHROLITHIASIS Ridwan, Hanna Salwa; Megantara, Sandra; Levita, Jutti
Jurnal Ilmiah Farmako Bahari Vol 15 No 1 (2024): Jurnal Ilmiah Farmako Bahari
Publisher : Faculty of Mathematic and Natural Science, Garut University

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.52434/jifb.v15i1.2877

Abstract

Nephrolithiasis (kidney stone) cases have a prevalence ranging from 1% to 13%. The disease not only hampers kidney function but also elevates the risk of chronic kidney diseases. The pathophysiology of nephrolithiasis is closely linked to elevated concentrations of calcium, oxalate, and/or uric acid in the urine. Pharmacotherapy to manage nephrolithiasis includes thiazide diuretics, allopurinol, citrate supplements, and alpha-blockers that have been prescribed to relieve symptoms. In addition, there is growing interest in exploring the potential of phytotherapy. This review aims to identify suitable phytotherapy approaches by examining relevant articles on nephrolithiasis. The research methodology involved searching PubMed articles using the keywords of (("Plant Extracts") AND ("Nephrolithiasis")) OR ("Ureterolithiasis"). The articles obtained from the initial search were n =123. 2 authors screened articles for their eligibility. The inclusion criteria were limited to articles written in English, topics related to nephrolithiasis and not other kidney diseases, the botanical names of the plants and the method of extraction are clearly described, complete studies with clear descriptions regarding the methods and results, not synthetic drugs, and not involving medical instruments or laser to remove the stones. Articles included in the review were n = 17. Water and hydro-alcohol were the solvents used to extract the plants. Twenty-two plants have confirmed their anti-nephrolithiasis activity, and nine articles described the assay by in vivo study, two by in vitro study, three by both in vitro and in vivo study, and only one article mentioned a study in humans by a randomized-control trial on a mixture of herbs. It is concluded that Rhizoma alismatis, Poria cocos, Polyporus umbellatus, Atractylodis macrocephalae, and Cinnamomi Cassiae prepared as a mixture in the Wu-Ling-San formula have a potential therapeutic effect on nephrolithiasis, as this formula has been studied in humans.
Molecular Docking Study of Mangosteen (Garcinia mangostana L.) Xanthone-Derived Isolates as Anti Androgen Suhandi, Cecep; Fadhilah, Ersa; Silvia, Nurfianti; Atusholihah, Annisa; Prayoga, Randy Rassi; Megantara, Sandra; Muchtaridi, Muchtaridi
Indonesian Journal of Cancer Chemoprevention Vol 12, No 1 (2021)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev12iss1pp11-20

Abstract

Androgen receptor (AR) is the member of steroid hormone receptor involved in the progression of prostate cancer growth due to receptor over-activation. On the other hand, mangosteen (Garcinia mangostana L.) as a medicinal plant contains xanthone-derived compounds which were known to have cytotoxic activity towards any types of human cancer cells. This research aims to determine xanthone-derived isolates potency from mangosteen as AR antagonists. The study was carried out through molecular docking assay utilizing AutoDock 4.2.6 using androgen receptor obtained from PDB ID 2AM9, testosterone as native ligand, and bicalutamide, flutamide, and nilutamide as reference. The results indicated that three isolates (1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone, mangostinone, and trapezifolixanthone) have the highest potency to be AR antagonist seen from the lower bond-free energy value than all of reference ligand. The lowest bond-free energy was provided by mangostinone with a ΔG value of -10.05 kcal/mol. However, the highest difference of residual amino acids interaction with testosterone and similar interaction with bicalutamide was provided by 1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone, with five different amino acids with testosterone and nine similar amino acids with bicalutamide, respectively. Interestingly, 1,3,7-trihydroxy-2,8-di-(3-methylbut-2-enyl)xanthone has similar hydrogen bond with the key residue amino acids of AR (705-Asn and 711-Gln) which indicates probably partial agonist activity while mangostinone has the highest amount of hydrogen bond in the absence of hydrogen bond towards key residual amino acids of AR. The results concluded that three specific derived-xanthone compounds were predicted to have activity as AR antagonists.Keywords: Prostate cancer, Androgen receptor, Mangosteen, Xanthone, Molecular docking.
In Silico Study of Chemical Compounds in Plantago major L. as Anti-Androgen Baihaqi, Achmad Al; Isman, Hasna Siti Munifah; Fauziyyah, Ganis Fitria; Hutabarat, Rismauli Ruth Natasari; Hartono, Adi; Megantara, Sandra
Indonesian Journal of Cancer Chemoprevention Vol 13, No 1 (2022)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev13iss1pp33-45

Abstract

Prostate cancer is the most common type of cancer diagnosed in men worldwide and the second leading cause of death after lung cancer. Testosterone and dihydrotestosterone (DHT) have been known to play an essential role in prostate cancer. Androgen receptor (AR) binding to the ligand allows homodimerization and translocation to the nucleus, which acts as a transcription factor for androgen-responsive genes such as PSA (Prostate-specific antigen). Although many anti-androgens have been established, including Bicalutamide, Flutamide, and Abiraterone, the problem of non-specific cytotoxicity effects and cancer recurrence due to potential drug resistance remains a significant obstacle to establishing effective therapy. Plantago major L. is one of the plants that can choose anticancer therapy because, based on reports, it has anticancer activity through DNA damage in cancer cells. This study focused on the search for the potential phytochemical activity of Plantago major L. as an anti-androgen, non-cytotoxic, and had significant AR inhibitory activity. This study uses Lipinski prediction (RO5), ADMET prediction, and a structure-based approach with molecular docking techniques using the PDB ID 2AM9 receptor structure and 13 compounds from Plantago major L. as test ligands compared to known AR antagonists. From the research results, Hispidulin has the highest potential as an anti-androgen with binding energy (-9.43 kcal/mol) that is closest to natural ligands and is smaller than Flutamide as a comparison drug. This anti-androgen activity was hypothesized from the similarity of hydrogen bonds with amino acid residues 705-Asn and 711-Gln as key AR residues present in Hispidulin.Keywords: Prostate cancer, Androgen Receptor, Plantago major L., ADMET, In Silico.
Artikel Review: Parameter dalam pembuatan Standar Operasional Prosedur (SOP) evaluasi penerapan Computer System Validation (CSV) Salim, Prayoga Drajat Pangestu; Megantara, Sandra; Maknun, Shofiyah Durin
Majalah Farmasetika Vol 11, No 1 (2026)
Publisher : Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/mfarmasetika.v11i1.69580

Abstract

Industri farmasi diwajibkan untuk mematuhi pedoman Cara Pembuatan Obat yang Baik (CPOB) sebagai upaya menjamin mutu, keamanan, dan efektivitas produk, termasuk dalam pengelolaan sistem komputerisasi melalui penerapan Computerized System Validation (CSV). Kajian berkala terhadap sistem CSV dilakukan untuk memastikan bahwa sistem komputerisasi tetap berada dalam kondisi tervalidasi, beroperasi sesuai dengan tujuan penggunaannya, serta memenuhi ketentuan regulatori yang berlaku, seperti CPOB 2024, GMP Annex 11, USP <1058>, dan ISO/IEC 27001. Penelaahan mencakup aspek pengendalian perubahan (change control), penanganan penyimpangan (deviation review), tinjauan keamanan dan pengelolaan akses sistem, evaluasi audit trail, verifikasi mekanisme backup–restore, serta pemantauan kinerja dan keandalan sistem secara berkelanjutan. Hasil kajian menunjukkan tidak ditemukannya indikasi penyimpangan operasional, penurunan performa sistem, maupun risiko terhadap integritas dan keamanan data. Seluruh aktivitas pengelolaan perubahan dan pemeliharaan sistem dilaksanakan secara terencana, terdokumentasi, dan tervalidasi dengan baik, termasuk penerapan Disaster Recovery Plan (DRP) yang mendukung kesinambungan operasional. Selain itu, sistem komputerisasi telah memenuhi prinsip ALCOA+ (Attributable, Legible, Contemporaneous, Original, Accurate, Complete, Consistent, Enduring, dan Available), sehingga menjamin akurasi, keterlacakan, serta perlindungan data dari akses yang tidak sah. Secara keseluruhan, kajian ini menunjukkan bahwa sistem komputerisasi di industri farmasi dapat beroperasi secara andal dan stabil serta selaras dengan persyaratan CPOB, GMP, dan ISO/IEC 27001 dalam mendukung kegiatan produksi dan pengawasan mutu. 
Rapid and Non-Destructive Analysis of Plant Material Using FTIR and Chemometric Methods Salsabilla, Bunga Indra; Muchtaridi, Muchtaridi; Megantara, Sandra; Novitasari, Dhania; Musfiroh, Ida
Indonesian Journal of Pharmaceutical Science and Technology Vol 13, No 1 (2026)
Publisher : Indonesian Journal of Pharmaceutical Science and Technology

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijpst.v13i1.63950

Abstract

Plant material analysis requires efficient, reliable, and sustainable methods for characterization, authentication, and quality control. Fourier Transform Infrared Spectroscopy (FTIR), combined with chemometrics, has emerged as a non-destructive approach that requires minimal sample preparation. This review summarizes developments and applications of FTIR chemometrics in plant analysis from 2015 to 2025, based on more than 32 published studies. The evolution of data analysis is described from classical techniques, including Principal Component Analysis and Partial Least Squares, to machine learning methods such as Support Vector Machines and Random Forests. Various FTIR modes, namely ATR FTIR, DRIFTS, and FTIR PAS, are discussed for analyses of leaves, roots, rhizomes, flowers, fruits, and fossilized plant materials. Reported applications include species identification with accuracies approaching 100%, geographic origin authentication with 77-94% accuracy, detection of adulteration in high-value commodities such as saffron, quantification of bioactive constituents with determination coefficients of 0.96-0.99, and assessment of environmental or agronomic influences on plant composition. Although challenges remain, particularly matrix complexity and calibration transfer, FTIR chemometrics represents a sustainable, rapid, and cost-effective tool for research and industrial quality control. Future directions emphasize the global integration of artificial intelligence and instrument miniaturization.
Co-Authors Ade Zuhrotun Adira Rahmawaty Aeni, Wida Nur Alifia Syifa Pebriani Annisa Ayu Ningtyas Carolina Sitepu ARNANDA, QUINZHEILLA PUTRI ASRI SAVITRI Atusholihah, Annisa Auliya AS, Nisa Nurul Baihaqi, Achmad Al Batari A. Larasati Bawono, Lidya Cahyo Dede Jihan Oktaviani Dede Jihan Oktaviani Dhania Novitasari Diah Siti Fatimah DIAH SITI FATIMAH Eli Halimah, Eli Ella Fazila Elsa Noor Hapitria Ester Uli Elisabeth Simanjuntak Fadhilah, Ersa FAJRA DINDA CRENDHUTY Fatharan, Rahma Haniyyah FATIMAH, DIAH SITI Fauzia Rahma Cahyani Fauziyyah, Ganis Fitria Febrina Amelia Saputri Febrina Amelia Saputri, Febrina Amelia Filza Yulina Ade Ganendra Akbar Hadiyanto Gin Gin Ginanjar, Gin Gin Gofarana Wilar Gracia Anastasya Hanna Goeanawan HARTONO, ADI Holis Abdul Holik, Holis Abdul Hutabarat, Rismauli Ruth Natasari Ida Musfiroh -, Ida Musfiroh Isman, Hasna Siti Munifah Iyan Sopyan Jiranusornkul, Supat Jutti Levita Khairinisa, Miski Aghnia Maknun, Shofiyah Durin Maryam Hasymia Ishmatullah Mochamad Rizal Muchtaridi Muchtaridi Muhammad Afif Muhammad Ikhsan Muhammad Syahid Abdillah Mutakin Mutakin Nabila Alivia Yasmin NADIATUL KHAIRA. Y Nasrul Wathoni Nisa Safitri Norisca Aliza Putriana Nova Sylviana Nurdiani Adiningsih Nurdiani Adiningsih OKTAVIANI, DEDE JIHAN Prayoga, Randy Rassi Quinzheilla Putri Arnanda Quinzheilla Putri Arnanda RAMADHAN, SAQILA ALIFA Rania Talinta L Ray, Hamidie Ronald Daniel Rejeki, Purwo Sri Ridwan, Hanna Salwa Rina Wijayanti Rini Hendriani Ronny Lesmana Rusdin, Agus Sabila, Rusydina Salim, Prayoga Drajat Pangestu Salsabilla, Bunga Indra Saqila Alifa Ramadhan Saqila Alifa Ramadhan Shella - Widiyastuti Shella Widiyastuti Shella Widiyastuti Shinta Lestari SHINTA LESTARI Shinta Lestari, Shinta Silvia, Nurfianti Siska Sari Marvita Sitti Faza Karima Slamet Ibrahim - SOLEH SOLEH SOLEH Sri Adi Sumiwi Sri Indrayani Suhandi, Cecep Suhendi, Cece Susianti Susianti Trie Oktaviani Unang Supratman Vita Murniati Tarawan Widiyastuti, Shella Yasmiwar Susilawati Yogiyanto Yogiyanto Yuni Susanti Pratiwi