Article Per Year (5 Year)
p-Index From 2021 - 2026
4.129
P-Index
This Author published in this journals
All Journal Biota: Jurnal Ilmiah Ilmu-Ilmu Hayati Indonesian Journal of Cancer Chemoprevention Indonesian Journal of Pharmaceutical Science and Technology Indonesian Journal of Biotechnology Dental Journal (Majalah Kedokteran Gigi) The Indonesian Biomedical Journal Indonesian Journal of Pure and Applied Chemistry Pharmacoscript Jurnal Insan Farmasi Indonesia Indonesian Journal of Biological Pharmacy Medical Sains : Jurnal Ilmiah Kefarmasian Journal of Pharmaceuticals and Natural Sciences Medical Sains : Jurnal Ilmiah Kefarmasian Indonesian Journal of Chemical Science Jurnal Sains dan Teknologi Jurnal Farmasi Sains dan Terapan (Journal of Pharmacy Science and Practice)
Dhania Novitasari
Cancer Chemoprevention Research Center (CCRC), Faculty Of Pharmacy, Universitas Gadjah Mada, Sekip Utara, Yogyakarta 55281, Indonesia
Agriculture, Biological Sciences & Forestry Biochemistry, Genetics & Molecular Biology Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Dentistry Health Professions Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology Physics Public Health Transportation

Published : 31 Documents Claim Missing Document
Claim Missing Document
Check
Articles

Found 31 Documents
Search

 1   2   3   4 
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.
Targeting Androgen Receptor with Boesenbergia rotunda Phytoconstituents: A Computational-based Perspective Najla Yasmintia Widarso; Ari Anggi Mahwati; Irene Ivory Sibuea; Dzava Prawinsyah Fairus Ismail; Bintang Satrio Mahardika; Dhania Novitasari
Indonesian Journal of Cancer Chemoprevention Vol 16, No 1 (2025)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev16iss1pp29-43

Abstract

Prostate cancer is characterized by abnormal cell proliferation within the prostate gland, driven in part by the activation of androgen receptor (AR) upon binding with testosterone. The receptor, therefore, represents a critical therapeutic target in prostate cancer management. Boesenbergia rotunda or fingerroot (or temu kunci in Indonesia), a medicinal plant widely used in traditional medicine, has been reported to exhibit diverse pharmacological activities, including anticancer effects. However, despite these promising bioactivities, no molecular level or computational studies have been conducted to explore its interaction with AR. In this study, the anticancer potential of eighteen secondary metabolites from B. rotunda rhizome was investigated in silico against the AR to identify new therapeutic candidates. The test ligands were evaluated for their physicochemical properties in accordance with Lipinski’s rule of five, ADME/Tox predictions, pharmacophore screening, and molecular docking, in comparison with the reference drug bicalutamide. Among the evaluated compounds, boesenbergin A demonstrated the strongest binding affinity to AR, with a binding energy of –11.89 kcal/ mol and an inhibition constant of 1.92 nM. Importantly, boesenbergin A engaged amino acid residues, including TRP: 741, like bicalutamide, indicating comparable binding interactions. These findings suggest that boesenbergin A holds substantial promise as a natural anticancer lead compound targeting the AR and warrants further investigation as a potential therapeutic agent for prostate cancer.Keywords: Boesenbergia rotunda, boesenbergin A, prostate cancer, in silico.
In Silico Study of Bioactive Compounds from Syzygium malaccense Targeting HER2 and Progesterone Receptors in Breast Cancer Nawadhir Fauzan; Riska Prasetiawati; Meilia Suherman; Dhania Novitasari; Muchtaridi Muchtaridi
Indonesian Journal of Cancer Chemoprevention Vol 16, No 1 (2025)
Publisher : Indonesian Society for Cancer Chemoprevention

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14499/indonesianjcanchemoprev16iss1pp1-14

Abstract

Breast cancer remains one of the most common causes of cancer-related deaths among women, with progesterone receptor (PR) and human epidermal growth factor receptor 2 (HER2) being key molecular targets in its progression. This study aimed to explore the potential of bioactive compounds from Syzygium malaccense that have exhibited anticancer activities, as targeted inhibitors for PR and HER2, using computational approaches. A total of 155 compounds were initially screened for anticancer potential using the Prediction of Activity Spectra for Substances (PASS), identifying 80 compounds for further analysis. Drug-likeness and pharmacokinetic predictions indicated that several compounds complied with the Rule of Five (RO5) and had favorable absorption and distribution profiles, suggesting their suitability as oral drug candidates. Molecular docking revealed that quercetin exhibited favorable interactions with PR, particularly involving the ARG 766 residue, while myricetin demonstrated strong binding affinity to HER2, surpassing trastuzumab, and interacting with key residues Asp 863, Lys 753, Ala 751, and Leu 796. Molecular dynamics simulations confirmed the stability of the Myricetin-HER2 complex under physiological conditions over 15 ns, supporting its potential as a HER2 inhibitor. These findings highlight myricetin and quercetin as promising natural compounds for breast cancer therapy targeting HER2 and PR, respectively. However, further experimental validation, including in vitro and in vivo studies, is necessary to confirm their therapeutic efficacy and safety. Overall, this study supports Syzygium malaccense as a valuable source of natural bioactive compounds for breast cancer drug discovery.Keywords: in silico screening, Syzygium malaccense, breast cancer, progesterone receptor, HER2.
Catechin from Avocado Seed (Persea Americana Mill.) Potentially Targets Estrogen Receptor-Alpha: Computational-Based Analysis Martiza Aulia; Fahrana Rosani; Tarisa Nurafni Romadhona; Lintang Gusti Kinanti; Kevin Gabriel; Agus Rusdin; Dhania Novitasari
Biota : Jurnal Ilmiah Ilmu-Ilmu Hayati Vol 10, No 3 (2025): October 2025
Publisher : Universitas Atma Jaya Yogyakarta

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24002/biota.v10i3.10666

Abstract

Avocado seeds (Persea americana Mill.) are known to possess various pharmacological properties, including notable anticancer potential. While preliminary studies have reported the cytotoxic effects of avocado seed extracts on breast cancer cells, there is still a lack of comprehensive research exploring the underlying molecular mechanisms responsible for these effects. This study explores bioactive compounds found in avocado seeds as potential agents targeting estrogen receptor alpha (ERα), a key biomarker in breast and cervical cancers. The investigation employs a range of computational approaches, including the Lipinski Rule of Five, ADME/Tox predictions, pharmacophore screening, and molecular docking analysis. Of the ten tested compounds, seven passed the Lipinski Rule of Five. ADME/Tox analysis revealed that most compounds exhibited adequate human intestinal absorption (HIA), poor blood-brain barrier (BBB) penetration, moderate Caco-2 permeability, and good plasma protein binding (PPB), while some were predicted to be mutagenic or carcinogenic. Pharmacophore modeling yielded an AUC of 0.87, with procyanidin B scoring 45.09 as a hit compound. Molecular docking revealed catechin, hyoscyamine, and atropine had the lowest Gibbs free energy (-5.15, -0.10, -0.07 kcal/mol). Among the compounds, catechin in avocado seed shows the highest potential for development as an ER-targeted anticancer agent.
Confirmation of the potential mechanism of pentagamavunon-0 against temporomandibular arthritis using bioinformatic approaches Dwi Merry Christmarini Robin; Retno Ardhani; Dhania Novitasari; Banun Kusumawardani; Faaza Aulia Rahman; Edy Meiyanto; Nunuk Purwanti
Dental Journal (Majalah Kedokteran Gigi) Vol. 58 No. 4 (2025): December
Publisher : Faculty of Dental Medicine, Universitas Airlangga https://fkg.unair.ac.id/en

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.20473/j.djmkg.v58.i4.p367-375

Abstract

Background: Non-steroidal anti-inflammatory drugs (NSAID) are widely used in temporomandibular joint osteoarthritis management. However, the side effects of NSAIDs on multiple organs need to be anticipated. Curcumin is known for its anti-inflammatory and analgesic potential, comparable to that of NSAIDs. In a previous study, structurally modified curcumin increased the pharmacological effect and simultaneously reduced the toxicity and side effects of curcumin. Pentagamavunon-0 (PGV-0) is one of the active components synthesized by the structure modification of curcumin. Purpose: In this study, we identify the potential target of PGV-0 on the pathogenesis of temporomandibular arthritis characterized by inflammation. Methods: We used a bioinformatics approach to compare the PGV-0 target with curcumin and diclofenac sodium as controls. We identified overlapping gene targets of bioactive compounds (PGV-0, curcumin, or diclofenac sodium) retrieved from the SwissTargetPrediction and GeneCards platforms, specifically for temporomandibular arthritis. An interaction model among targets was developed using the STRING database and Gene Ontology Panther to expound on the bioactive compound’s function on the key signaling pathway. Finally, we formulated a molecular docking prediction between the bioactive compound and the target protein marker derived from the previous analysis using Molecular Operating Environment tools. Results: This study found that curcumin and PGV-0 targeted different molecular pathways in temporomandibular arthritis compared to diclofenac sodium. Curcumin and PGV-0 shared a similar pathway to curcumin by modulating metalloproteinases (MMPs), especially MMP-9 and MMP-13. Moreover, diclofenac sodium influenced cyclooxygenase metabolism. Conclusion: In this study, PGV-0 targeted metalloproteinase in temporomandibular arthritis pathogenesis. This finding underlines the PGV-0 advantage in preventing metalloproteinase-related tissue damage in temporomandibular arthritis.
In Silico Study of Phytochemical Compound from Daun Kluwih  (Artocarpus camansi) as an Antidiabetic Targeting Aldose Reductase Dinar Umaimah Radani; Ignasia Anindya Pintagratia; Anindya Nursanti Syaiful; Fahri Renaldi; Fachrizal Dwi Kautsar; Dhania Novitasari
Journal of Pharmaceuticals and Natural Sciences Vol. 3 No. 1 (2026): J. Pharm. Nat. Sci.
Publisher : B-CRETA Publisher (CV. Borneo Citra Kreatama)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70392/jpns.v3i1.49

Abstract

Diabetes Mellitus (DM) is a disease characterized by increased blood glucose levels. The most common type of diabetes is type 2 diabetes mellitus. Aldose Reductase is an enzyme that works in the polyol pathway. The polyol pathway is the pathway where glucose is metabolized by aldose reductase into sorbitol. The end result of this polyol pathway will accumulate in the tissue so that there is a disruption of the osmolarity of the basal membrane which can cause complications of diabetes mellitus. Therefore, the activity of the aldose reductase enzyme must be inhibited, one of which is using chemical compounds so that complications such as cataracts do not occur. Tests conducted in this study include Lipinski's RO5, ADMETox, pharmacophore screening, and molecular docking. From the test results, it was found that the most potential compound in treating Diabetes Mellitus is Cycloartenol Acetate.
COMPUTATIONAL INSIGHT INTO PIPER RETROFRACTUM CONSTITUENTS TARGETTING MAO-B IN PARKINSON'S DISEASE Aisyah Nur; Wahyuni Sri; Aprilliana Kurnia Ulla; Salsabilla Rifa Alya; Fathin Nayla Maymuna; Rusdin Agus; Novitasari Dhania
Pharmacoscript Vol. 9 No. 1 (2026): Pharmacoscript
Publisher : Lembaga Penelitian dan Pengabdian Masyarakat, Universitas Perjuangan Tasikmalaya

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.36423/pharmacoscript.v9i1.2349

Abstract

Parkinson’s disease, characterized as a progressive neurodegenerative condition, represents a significant contributor to mortality in Indonesia. Piper retrofractum, a Piperaceae species rich in alkaloids, has been reported to contain compounds with neuroactive potential, similar to other Piper species in which Monoamine Oxidase-B (MAO-B) inhibition has been documented. However, no computational study has evaluated the interaction between Piper retrofractum bioactive compounds and MAO-B. = aimed to evaluate the MAO-B inhibitory potential of bioactive compounds from Piper retrofractum. Ten bioactive compounds from Piper retrofractum were screened and analyzed using Lipinski’s rules, PreADMET, pharmacophore modeling (Ligandscout 4.4.5), and molecular docking (AutoDock 4.2.6). The findings revealed that all test compounds met Lipinski's rule of Five. From the PreADMET results, Alismoxide showed a high Blood-Brain Barrier (BBB) crossing capacity of 4.59529. Trans-fagaramide was identified as the optimal pharmacophore match, displaying a fit score of 34.57. Meanwhile, from the molecular docking results, the most promising pharmacological candidate was piperolein-B, which formed a hydrogen bond with the amino acid residue LEU: A56, similar to the native ligand, with an inhibition constant of 0.015 μM and a binding energy of -10.6 kcal/mol. From these results, the bioactive compounds from Piper retrofractum can interact with the MAO-B receptor. These findings are computational predictions and require further experimental validation to confirm their potential for Parkinson’s disease treatment.
Uncovering Anti-Obesity Candidates from Robusta Green Coffee: In Silico Evaluation of Bioactive Compounds Targeting PPAR-α Bintang Satrio Mahardika; Viona Algesia Fiola Putri; Yolla Adellia Putri; Jasimah Jasimah; Kevin Gabriel; Agus Rusdin; Dhania Novitasari
Journal of Pharmaceuticals and Natural Sciences Vol. 2 No. 3 (2025): J. Pharm. Nat. Sci.
Publisher : B-CRETA Publisher (CV. Borneo Citra Kreatama)

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.70392/jpns.v2i3.40

Abstract

Obesity arises from a chronic imbalance between energy intake and expenditure, leading to excessive accumulation of body fat. Peroxisome proliferator-activated receptor-alpha (PPARα) plays a key regulatory role in lipid metabolism, particularly in reducing the de novo synthesis of fatty acids. Robusta coffee has been widely consumed as part of the lifestyle, yet scientific evidence for its pharmacological effects is limited. This study aimed to evaluate the molecular interactions between secondary metabolites from Green Bean Coffee Robusta (Coffea canephora P.) and PPARα using in silico approaches. The workflow included screening compounds from C. canephora based on Lipinski’s Rule of Five (RO5) and ADMET predictions, followed by pharmacophore modelling and molecular docking simulations using AutoDock against PPARα (PDB ID: 2P54). All the bioactive constituents in C. canephora met the requirements of RO5, and several metabolites were assessed based on their pharmacokinetic profile and toxicology prediction. Further molecular docking analysis identified 4-ethyl-2-methoxyphenol as the most promising anti-obesity candidate, demonstrating the lowest binding energy (-4.58 kcal/mol) and an inhibition constant of 440.47 µM. The compound formed key hydrogen bonds with amino acid residues ALA333, THR279, CYS276, and CYS275. These findings suggest that 4-ethyl-2-methoxyphenol from Green Bean Coffee Robusta exhibits potential as an anti-obesity agent through its interaction with the PPARα receptor. Further in vitro and in vivo studies are required to validate its pharmacological effects.
In Silico Study of Digitoxin from Foxglove (Digitalis purpurea L.) on Beta-1 Adrenergic Receptors in Heart Failure and Atrial Fibrillation Agung Adnan Pratama; Raden Verlisa Febriani; Cantik Batrisyia Ali; Riefka Berliana Khoir; Andi Salwa Karima; Dhania Novitasari
Jurnal Sains Dan Teknologi | E-ISSN : 3063-9980 Vol. 3 No. 1 (2026): Juli - September
Publisher : GLOBAL SCIENTS PUBLISHER

Show Abstract | Download Original | Original Source | Check in Google Scholar

Abstract

Atrial fibrillation and heart failure are highly morbid and mortal cardiovascular diseases worldwide. Beta-1 adrenergic receptors are the mediators of cardiac function and the primary therapeutic targets in both diseases. Digitalis purpurea L., popularly known as foxglove or thimble flower is a medicinal herb used traditionally to cure heart disease and contains a cardiac glycoside alkaloid compound, digitoxin. This study aims to investigate in silico the potential interaction of digitoxin with beta-1 adrenergic receptors as a drug lead for heart failure and atrial fibrillation treatment. Bioactive compounds of Digitalis purpurea were systematically evaluated for their physicochemical properties according to Lipinski’s Rule of Five (RO5), pharmacokinetic profiles via ADMET prediction, pharmacophore features using LigandScout, and molecular interactions through molecular docking employing AutoDock 4.2.6. Results demonstrated that digitoxin has best oral bioavailability and intensively binds beta-1 adrenergic receptors with a Gibbs free energy of -9.24 kcal/mol, where hydrogen and hydrophobic interactions between digitoxin and receptor active site residues form. All of these show that digitoxin may be able to be developed as a heart failure and atrial fibrillation natural-based drug.
Unveiling the Antidiabetic Mechanism of Alpinia galanga: A Molecular Docking Approach on PPARγ Justin, Felix; Aliya, Najma; Aziz, Syarif Rahmat; Sabiila, Annisa Ahda; Ismail, Dzava Prawinsyah Fairus; Mahardika, Bintang Satrio; Novitasari, Dhania
Indonesian Journal of Biological Pharmacy Vol 6, No 1 (2026): IJBP
Publisher : Department of Biological Pharmacy, Faculty of Pharmacy, Universitas Padjadjaran

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24198/ijbp.v6i1.69277

Abstract

Alpinia galanga (L.) Willd., commonly known as galangal, is a medicinal plant traditionally used to manage metabolic disorders, including diabetes. Galangal rhizome contains diverse bioactive compounds with reported antioxidant, anti-inflammatory, and glucose-regulating properties, suggesting its potential as a natural antidiabetic agent. Peroxisome proliferator-activated receptor gamma (PPARγ) is a nuclear hormone receptor that plays a central role in glucose homeostasis, lipid metabolism, and insulin sensitivity, making it an important therapeutic target for type 2 diabetes mellitus (T2DM). This study aimed to evaluate the antidiabetic potential of bioactive compounds from A. galanga rhizome as PPARγ modulators using a computational-based approach. A total of 19 compounds were assessed through Lipinski’s Rule of Five, ADMETox profiling, pharmacophore screening, and molecular docking against PPARγ. Among the screened compounds, bisdemethoxycurcumin exhibited the most favorable pharmacokinetic properties and the strongest binding affinity toward PPARγ, comparable to pioglitazone. These findings indicate that bisdemethoxycurcumin from A. galanga has potential as a PPARγ-targeted antidiabetic agent and merits further experimental validation.
Co-Authors Adam Hermawan Ade Safitri Agung Adnan Pratama Agus Rusdin Agus Rusdin Agus, Rusdin Aisyah Nur Aisyah Tasza Noor Alifa, Zahra Aliya, Najma Alya Izzati Zhafira, Rizal Andhryanti, Rifa Nurfadila Andi Salwa Karima Andika Andika Anindya Nursanti Syaiful Anjani, Fasya Assyla Anselma Ivanawati Aprilliana Kurnia Ulla Ardhita Marshella Dhanu Ari Anggi Mahwati Ashriany, Raissa Rerey Aziz, Syarif Rahmat Azzahra, Iqlima Banun Kusumawardani Beni Lestari Bintang Satrio Mahardika Bintang Satrio Mahardika Budhiman, Muhammad Darrel Ghariza Cahyaningrum, Lydia Cantik Batrisyia Ali CINDY CINDY Devyanto Hadi Triutomo Dinar Umaimah Radani Dwi Merry Christmarini Robin Ediati Sasmito Ediati Sasmito Edy Meiyanto Edy Meiyanto Edy Meiyanto Edy Meiyanto Edy Meiyanto Faaza Aulia Rahman Fachrizal Dwi Kautsar Fadhilah, Naya Fahrana Rosani Fahri Renaldi Fardhan, Firghi Muhammad Fathin Nayla Maymuna Fathin Nayla Maymuna Fathin, Nayla Maymuna Fa’aizah Masayu Kyla Fiona Puspita, Sari Fitriana Hayyu Arifah Gabriel, Kevin Herwandhani Putri Hess, Aurelina Yunita Ida Musfiroh -, Ida Musfiroh Ignasia Anindya Pintagratia Irene Ivory Sibuea Ismail, Dzava Prawinsyah Fairus Jasimah Jasimah Jun-ya Kato Justin, Felix Kato, Jun-Ya Kevin Gabriel Laeli Muntafiah Lathifah, Salma Sri Layung Sekar Sih Wikanthi Lestari, Mila Ayu Lintang Gusti Kinanti Maharani, Anisa Mahardika, Bintang Satrio Mahira, Tsania Marshella Dhanu, Ardhita Martiza Aulia Masayu Kyla, Fa’aizah Masyithah Sitti MEGANTARA, SANDRA Meilia Suherman Moordiani Moordiani Moulana, Mohammad Zaeni Muchtaridi Muchtaridi Muhammad Syahid Muljono, Fajar Oktavian Muthi Ikawati Nabilah, Rahmadhani Najla Yasmintia Widarso Nawadhir Fauzan Nayla Maymuna, Fathin Nedy, Meunasha Syadza Nindi Wulandari Nunuk Purwanti Nur Fitra Sari Nurhaliza, Muthiah Oktaviana, Lina Pramudita, Fransisca Widi Pratama, Muhammad Hafizh Putra Prisnu Tirtanirmala Putri Salma Chiara Putri, Anindya Calista Nabila Putri, Nazwa Septiriana Qurrotaayun, Ghina Alya Putri Raden Verlisa Febriani Rahmadhani Nabilah Rahmaharva, Naila Dwi Rahmawati Rahmawati Ramadhani, Siti Zhahira Ratna Asmah Susidarti Retno Ardhani Retno Murwanti Riefka Berliana Khoir Riris Istighfari Jenie Riris Istighfari Jenie Riska Prasetiawati Rizal Alya Izzati Zhafira Rubianti, Retno Rusdin Agus Rusdin, Agus Rusmina Aulia Hasanah Sabiila, Annisa Ahda Salma Chiara, Putri Salsabila, Sitti Kesya Salsabilla Rifa Alya Salsabilla, Bunga Indra Saputra, Maitry Sari Fiona Puspita Sari Haryanti Shafa, Nafis Sitompul, Joy Elizabeth Nauli Sitti, Masyithah Sri Handayani Tarisa Nurafni Romadhona Tasza Noor, Aisyah Viona Algesia Fiola Putri Wahyuni Sri Yolla Adellia Putri Zahrotul Ulum Zhafirah, Noor