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All Journal Jurnal Riset Kesehatan Quagga Biology, Medicine, & Natural Product Chemistry PENA SAINS Journal of Natural Sciences and Mathematics Research Jurnal Ilmiah Universitas Batanghari Jambi Jurnal SOLMA JURNAL KESEHATAN PERINTIS Prosiding Seminar Nasional Multidisiplin Jurnal Inovasi Farmasi Indonesia Abdimas Galuh: Jurnal Pengabdian Kepada Masyarakat Jurnal Abdimas Ilmiah Citra Bakti (JAICB) SIMBIOSA Indonesian Journal of Natural Science Education Jumat Ekonomi: Jurnal Pengabdian Masyarakat PHARMACOLOGY, MEDICAL REPORTS, ORTHOPEDIC, AND ILLNESS DETAILS (COMORBID) BIO-CONS: Jurnal Biologi dan Konservasi Gema Kesehatan Journal of Engineering Science and Technology Management Journal for Quality in Public Health Komunita: Jurnal Pengabdian dan Pemberdayaan Masyarakat Jurnal Kesehatan Metro Sai Wawai Jurnal Mahasiswa Kesehatan Jurnal Bioteknologi & Biosains Indonesia (JBBI) Jurnal Cendekia Ilmiah Joong-Ki Jurnal Bioteknologi & Biosains Indonesia
Lisa Savitri
Universitas Kadiri, Jawa Timur, Indonesia
Religion Agriculture, Biological Sciences & Forestry Arts Humanities Biochemistry, Genetics & Molecular Biology Chemical Engineering, Chemistry & Bioengineering Chemistry Civil Engineering, Building, Construction & Architecture Computer Science & IT Control & Systems Engineering Decision Sciences, Operations Research & Management Economics, Econometrics & Finance Education Electrical & Electronics Engineering Energy Environmental Science Health Professions Immunology & microbiology Languange, Linguistic, Communication & Media Law, Crime, Criminology & Criminal Justice Materials Science & Nanotechnology Mathematics Medicine & Pharmacology Neuroscience Nursing Physics Public Health Social Sciences Other

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Computational Evaluation of Antibacterial Activity of Acalypha indica L. Phytochemicals Against Staphylococcus aureus DNA Gyrase Lisa Savitri; Kharisul Ihsan; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.451-455

Abstract

This study investigated the antibacterial potential of phytochemical compounds derived from Acalypha indica L. against the DNA gyrase of Staphylococcus aureus using an in silico computational approach. Phytochemical structures were collected from established compound databases and subjected to geometry optimization to ensure conformational stability before molecular docking analysis. Docking simulations were carried out using AutoDock Vina to evaluate the binding affinity and interaction profiles of each ligand with the ATP-binding domain of DNA gyrase, a critical enzyme involved in bacterial DNA replication. The three-dimensional structure of S. aureus DNA gyrase was obtained from the Protein Data Bank and prepared through removal of water molecules, addition of polar hydrogens, and refinement of active-site residues. Among the screened ligands, five compounds exhibited strong predicted affinities, with binding energies ranging from -6.8 to -9.1 kcal/mol. Compound C demonstrated the most favorable interaction, forming stable hydrogen bonds and extensive hydrophobic contacts within the catalytic pocket, suggesting a strong inhibitory potential. Compound E also showed a high affinity, although its orientation within the binding site was slightly less optimal. ADMET predictions indicated that all top candidates satisfied drug-likeness criteria, showed good absorption potential, and presented low toxicity risks. Overall, the findings highlight that Acalypha indica L. contains bioactive constituents with promising inhibitory activity against bacterial DNA gyrase. These results support the traditional use of the plant in antimicrobial applications and provide a foundation for further experimental validation through in vitro enzyme inhibition assays and in vivo studies to confirm their therapeutic relevance.
The Role of the NF-kB Pathway and Oxidative Stress Markers in the Protective Effects of Peperomia pellucida in a Gastroenteritis Model Lisa Savitri; Fendy Prasetyawan; Yuneka Saristiana; Elfred Rinaldo Kasimo; Rochmad Krissanjaya; Cornelia Amanda; Konradus Klala Mebung
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.803-808

Abstract

Gastroenteritis is a common gastrointestinal disorder characterized by intestinal inflammation, epithelial damage, and oxidative stress. Activation of the nuclear factor kappa B (NF-kB) signaling pathway and excessive production of reactive oxygen species play key roles in its pathogenesis. Peperomia pellucida is a medicinal plant traditionally used for inflammatory and gastrointestinal conditions; however, its molecular mechanisms of action remain poorly understood. This study aimed to investigate the protective effects of P. pellucida extract in an experimental gastroenteritis model, with a particular focus on NF-kB pathway modulation and oxidative stress markers. Gastroenteritis was induced in experimental animals, followed by oral administration of P. pellucida extract at different doses. NF-kB p65 expression was assessed using molecular analysis, while oxidative stress was evaluated through malondialdehyde levels and antioxidant enzyme activities, including superoxide dismutase and catalase. Histopathological examination of intestinal tissue was also performed. The results demonstrated that P. pellucida treatment significantly suppressed NF-kB p65 activation, reduced lipid peroxidation, restored antioxidant enzyme activities, and improved intestinal histopathological features compared to the untreated gastroenteritis group. These findings indicate that P. pellucida confers intestinal protection by attenuating inflammation and oxidative stress, supporting its potential as a natural therapeutic agent for gastroenteritis.
Prediction of Interaction and Stability of Bioactive Compounds from Acalypha indica L. with Acetylcholinesterase as Alzheimer’s Drug Candidates: A Docking and Molecular Dynamics Study Lisa Savitri; Kharisul Ihsan; Rochmad Krissanjaya; Elfred Rinaldo Kasimo
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.679-684

Abstract

Alzheimer’s disease remains one of the most challenging neurodegenerative disorders, with acetylcholinesterase (AChE) inhibition serving as a key therapeutic strategy. This study evaluated the interaction profiles and dynamic stability of bioactive compounds from Acalypha indica L. as potential AChE inhibitors using molecular docking and molecular dynamics simulations. Candidate compounds were screened for drug-likeness through SwissADME and toxicity predictions using ProTox-II. Docking results identified Compound A as the strongest binder, showing a favorable binding energy of -9.2 kcal/mol and forming stable interactions with catalytic and peripheral residues of AChE. A 100-ns molecular dynamics simulation demonstrated the stability of the protein-ligand complex, supported by consistent RMSD and radius of gyration values. Residue-level flexibility analysis revealed minimal fluctuations in the active site, and hydrogen-bond monitoring indicated persistent interactions throughout the simulation. MM-PBSA calculations yielded a binding free energy of -32.4 ± 3.1 kcal/mol, with van der Waals contributions dominating the interaction. These findings suggest that Compound A is a promising lead candidate for further experimental validation as an AChE inhibitor and may contribute to the development of new therapeutic agents for Alzheimer’s disease.
Computational Profiling of Sapindus rarak (Lerak) Phytochemicals as Potential Antibacterial and Immunomodulatory Agents against Escherichia coli Lisa Savitri; Kharisul Ihsan; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.639-644

Abstract

Antibiotic resistance in Escherichia coli continues to rise, creating an urgent need for new antibacterial candidates with novel mechanisms of action. Sapindus rarak contains diverse phytochemicals, including saponins, flavonoids, and triterpenoids, yet the molecular basis of their biological activity remains poorly understood. This study aimed to profile the antibacterial and immunomodulatory potential of major S. rarak compounds using a computational approach. Twenty phytochemicals were collected from public databases and evaluated against three targets: E. coli DNA gyrase and DHFR, and human TLR4. Docking analysis identified rarasaponin A and B as the strongest gyrase binders, with binding energies of -9.8 and -9.6 kcal/mol. A 100-ns molecular dynamics simulation demonstrated stable interactions between rarasaponin A and gyrase, supported by consistent RMSD values and an MM–GBSA energy of approximately -42 kcal/mol. Flavonoids such as quercetin-3-O-glucoside showed preferential binding to TLR4 and were predicted to promote IL-10 induction with minimal TNF-alpha activation. ADMET predictions indicated more favorable pharmacokinetic properties for flavonoids than saponins. These findings support a dual-mechanism therapeutic model in which saponins act as antibacterial agents and flavonoids contribute to balanced immune modulation. Further experimental validation through in vitro and in vivo assays is recommended.
In Vivo Evaluation of the Antibacterial Activity of Sapindus rarak (Lerak) and Host Immunological Profiles in an Escherichia coli Infection Model Lisa Savitri; Kharisul Ihsan; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.319-324

Abstract

This study evaluated the in vivo antibacterial activity of Sapindus rarak (lerak) extract and its effects on host immune responses during Escherichia coli infection. Lerak contains saponins and other bioactive compounds that have shown promising antimicrobial effects in vitro, but in vivo evidence remains limited. Male BALB/c mice were assigned to healthy, infected control, and three treatment groups receiving low, medium, or high doses of lerak extract. All infected groups were orally challenged with pathogenic E. coli and treated for seven days. Clinical signs, bacterial load, cytokines, immunoglobulin levels, and tissue histopathology were assessed. Mice in the infected control group developed weight loss, diarrhea, and systemic signs of infection, whereas those receiving lerak extract showed milder symptoms, especially at higher doses. Lerak significantly reduced bacterial counts in intestinal and systemic tissues, with the strongest effect in the high-dose group. Treatment also decreased pro-inflammatory cytokines (TNF-alpha, IL-6) and increased IL-10, indicating a shift toward controlled inflammation. Serum IgA levels were elevated in treated mice, suggesting enhanced mucosal protection. Histopathology confirmed reduced epithelial damage and inflammatory infiltration in the intestine, liver, and spleen. These findings suggest that lerak extract exerts both antibacterial and immunomodulatory effects in vivo. Its dual activity highlights its potential as a plant-derived therapeutic candidate for managing enteric infections caused by E. coli. Further fractionation and mechanistic studies are warranted to identify active compounds and clarify biological pathways involved.
Regulation of CD4+ and CD8+ T Cell Responses by Extract of Male Papaya Leaves (Carica papaya L.) in Experimental Autoimmune Disease Lisa Savitri; Kharisul Ihsan; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.809-813

Abstract

Autoimmune diseases are characterized by dysregulated adaptive immune responses, particularly involving CD4+ and CD8+ T lymphocytes. Current therapeutic strategies often rely on broad immunosuppression, which may lead to adverse effects and increased susceptibility to infections. Therefore, the exploration of natural immunomodulatory agents remains an important research focus. This study aimed to evaluate the regulatory effects of male papaya leaf extract (Carica papaya L.) on CD4+ and CD8+ T cell responses in an experimental autoimmune disease model. Male papaya leaves were extracted using 70% ethanol and administered orally to autoimmune disease-induced mice at different dosage levels. T cell populations were analyzed using flow cytometry, focusing on CD4+ and CD8+ T cell proportions in splenocytes. The results showed that experimental autoimmune disease significantly increased CD4+ T cell levels and reduced CD8? T cell proportions compared to normal controls. Treatment with male papaya leaf extract led to a dose-dependent reduction in CD4+ T cells and restoration of CD8+ T cell levels. The highest dose produced a T cell profile comparable to that of healthy animals. These findings indicate that male papaya leaf extract modulates adaptive immune responses by rebalancing CD4+ and CD8+ T cell populations rather than inducing broad immunosuppression. The study highlights the potential of male papaya leaf extract as a natural immunomodulatory agent for the management of autoimmune diseases and supports further investigation into its underlying mechanisms and clinical relevance.
In Silico Study of Bioactive Compounds from Acalypha indica L. Interacting with the COX-2 Receptor as Potential Anti-Inflammatory Candidates Lisa Savitri; Kharisul Ihsan; Rochmad Krissanjaya; Elfred Rinaldo Kasimo
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.31-37

Abstract

Acalypha indica L. is a medicinal herb traditionally used across Asia for treating inflammation-related conditions. Although several studies report anti-inflammatory activity in its extracts, little is known about the molecular interaction of its individual phytochemicals with cyclooxygenase-2 (COX-2)—a validated therapeutic target for inflammatory diseases. This study fills this gap by performing a comprehensive in silico analysis of 20 major bioactive compounds of A. indica using molecular docking, binding interaction profiling, and ADMET predictions. Docking against the COX-2 receptor (PDB: 3LN1) using AutoDock Vina revealed that rutin (-10.4 kcal/mol), kaempferol-3-O-rutinoside (-10.1 kcal/mol), quercetin (-9.6 kcal/mol), and luteolin (-9.3 kcal/mol) demonstrated strong predicted affinity and stable interactions with key residues Arg120, Tyr355, and Tyr385, comparable to celecoxib (-10.8 kcal/mol). ADMET profiling showed that aglycone flavonoids possessed more favorable drug-likeness properties than glycosides. These results suggest that A. indica contains multiple promising lead compounds for future COX-2 inhibition studies and highlight the molecular mechanisms supporting its ethnomedicinal use as an anti-inflammatory agent.
In Vitro Assessment of the Antibacterial Activity of Sapindus rarak (Lerak) and Its Influence on Cellular Immune Markers During Escherichia coli Infection Lisa Savitri; Kharisul Ihsan; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
Biology, Medicine, & Natural Product Chemistry Vol 15, No 1 (2026)
Publisher : Sunan Kalijaga State Islamic University & Society for Indonesian Biodiversity

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.14421/biomedich.2026.151.209-213

Abstract

Antibiotic-resistant Escherichia coli remains a major public health concern, prompting interest in plant-derived compounds with both antimicrobial and immunomodulatory functions. This study evaluated the antibacterial activity of Sapindus rarak (lerak) extract and its influence on macrophage cytokine responses during E. coli stimulation. Lerak pericarp extract was prepared using 70% ethanol and tested against E. coli ATCC 25922 using broth microdilution. Immunomodulatory effects were assessed in RAW 264.7 macrophages exposed to heat-killed E. coli, followed by treatment with sub-MIC concentrations of the extract. The results showed moderate antibacterial activity, with a minimum inhibitory concentration of 250 microgram/mL and a minimum bactericidal concentration of 500 microgram/mL. Cell viability exceeded 90% at 50–100 microgram/mL, confirming suitability for immunological assays. Lerak significantly reduced TNF-alpha and IL-6 production while increasing IL-10 levels, indicating suppression of excessive inflammation and enhancement of regulatory responses. These findings suggest that S. rarak possesses dual antibacterial and immunomodulatory properties, highlighting its potential as a complementary therapeutic candidate for managing E. coli infections where inflammation contributes to disease severity.
IN SILICO EVALUATION OF FLAVONOIDS FROM ACALYPHA INDICA L. AS Α-GLUCOSIDASE INHIBITORS FOR THE TREATMENT OF DIABETES MELLITUS Lisa Savitri; Kharisul Ihsan; Fendy Prasetyawan; Yuneka Saristiana; Imam Agus Faizal; Meri Meri
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 13 No. 1 (2026)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

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

Abstract

Type 2 diabetes mellitus continues to pose a significant global health burden, highlighting the urgent need for safer and more effective therapeutic agents with minimal adverse effects. One promising strategy involves targeting α-glucosidase, a key enzyme in postprandial glucose regulation, using bioactive compounds derived from medicinal plants. Acalypha indica, a tropical species widely used in traditional medicine, contains diverse flavonoids with potential antidiabetic activity; however, their molecular mechanisms remain insufficiently explored. This study employed an in silico approach to systematically evaluate the α-glucosidase inhibitory potential of five flavonoids from A. indica—mauritanin, repandusinic acid, hesperetin, glucogalin, and acaindinin. Molecular docking analysis using AutoDock revealed that all compounds exhibited favorable binding affinities toward the α-glucosidase enzyme (PDB ID: 5NN8), indicating spontaneous interactions at the active site. Among them, mauritanin demonstrated the highest binding affinity (–10.3 kcal/mol), forming multiple stabilizing hydrogen bonds with critical catalytic residues, including ASP69, HIS279, and GLU411. Notably, both mauritanin and repandusinic acid showed stronger binding interactions compared to the standard inhibitor acarbose, suggesting superior inhibitory potential. Further interaction analysis using LigPlot+ and Discovery Studio Visualizer confirmed stable ligand–enzyme complex formation, while ADMET predictions using SwissADME indicated favorable pharmacokinetic properties, including good oral bioavailability, low toxicity risk, and absence of major cytochrome P450 inhibition. Overall, these findings identify mauritanin and repandusinic acid as promising lead compounds for α-glucosidase inhibition and support the therapeutic potential of A. indica as a natural source for antidiabetic drug development. This study provides a strong computational foundation for future experimental validation and drug design efforts.
IN SILICO MOLECULAR TARGETING AND ADMET PROFILING OF BETA-SITOSTEROL AS A MULTI-TARGET THERAPEUTIC CANDIDATE Fendy Prasetyawan; Yuneka Saristiana; Lisa Savitri
Jurnal Bioteknologi & Biosains Indonesia (JBBI) Vol. 13 No. 1 (2026)
Publisher : BRIN - Badan Riset dan Inovasi Nasional

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Abstract

Beta-sitosterol is a naturally occurring phytosterol with potential biological activities, including anticancer effects. This study aimed to evaluate the pharmacokinetic characteristics and molecular targets of beta-sitosterol using in silico approaches involving ADMET analysis and target prediction. The ADMET results indicated that beta-sitosterol exhibited favorable membrane permeability and high absorption potential; however, it demonstrated poor aqueous solubility and high plasma protein binding, which may affect its bioavailability. Additionally, metabolic prediction suggested potential involvement of cytochrome P450 enzymes in beta-sitosterol biotransformation. Target prediction analysis revealed that beta-sitosterol may interact with multiple proteins involved in lipid metabolism and hormonal regulation. The highest predicted affinity was observed toward NPC1L1, a protein involved in cholesterol absorption, as well as nuclear receptors including LXR-α, ROR-γ, and androgen receptor, which regulate lipid metabolism and hormone signaling. Furthermore, beta-sitosterol was predicted to interact with HMG-CoA reductase and several cytochrome P450 isoforms involved in cholesterol biosynthesis and steroidogenesis. The findings suggest that beta-sitosterol possesses a multi-target profile associated with lipid metabolism and hormonal regulation pathways.
Co-Authors Afrilla, Rananda Agung Dwi Wahyu Widodo Agustanti, Khalimatus Nur Eka Akbar Nur Kholis Alimansur, Moh Alves, Silvina Sandra X. Amanda, Cornelia Aminah Alfiani Ana Retnowati Anjarwati, Aprilia Antoro, Ester Lianawati Apriana, Dita Arif Budi Setiawan Besan, Emma Jayanti Cornelia Amanda Datin An Nisa Sukmawati Datin An Nisa Sukmawati Dhony Hermanto Edda, Ilda Rambu Eka Wahyuningtiyas Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo Elfred Rinaldo Kasimo, Elfred Rinaldo Elly Megasari Ester Lianawati Antoro Ester Lianawati Antoro Ester Lianawati Antoro Ester Lianawati Antoro Evi Laela Sari Farabi, Meka Faizal Fendy Prasetyawan Firdania Firdaus Rosyida Fitri, Devi Nor Freitas, João Gregório Freitas, Maria Do Carmo Da Costa Hanifah Delima Nuardani Herman Herman Herman Hilmi, Mochammad Hanif Ida Septika Wulansari Ida Septika Wulansari Ida Septika Wulansari Ida Septika Wulansari Ihsan, Kharisul Imam Agus Faizal Indrayanti, Dian Iza Dwi Muslikha Juan Vega Mahardhika Juan Vega Mahardika Juwita, Syntia Tanu Kadir, Mujtahid Bin Abd Kadir, Mujtahid Bin And Kasimo, Elfred Khalimatus Nur Eka Agustanti Kharisma Rahmasari Kharisul Ihsan Kharisul Ihsan Kharisul Ihsan Khoirul Ngibad Kholis, Akbar Nur Kholis, Muhammad Akbar Nur Konradus Klala Mebung Laili, Nur Fahma La’ally Maula Lian Pandu Farendra Loviana, Novi Maria Do Carmo Da Costa Freitas Masyhuri, Aga Adi Mebung, Konradus Klala Megasari, Elly Meri, Meri Meri, Meri Mika Tri Kumala Swandari, Mika Tri Kumala Mila Putri Daniati Mochamad Hanif Hilmi Mochamad Hanif Hilmi Mohammad Firdaus Alshol Mosse1, Yosep Muhammad Nurul Fadel Muslikha, Iza Dwi Muttaqin, Saiful Neni Probosiwi Novirma Yanti Novirma Yanti Novyananda Salmasfattah Novyananda Salmasfattah Nur Fahma Laili Nur Fahma Laili Nurul Ismillayli Ornai, Andre Mario Sequeira Alves Rasyadan Taufiq Probojati Renaldi Umbu Ndamung Kale Restyana, Anggi Restyana, Anggy Retnowati, Ana Rochmad Krissanjaya Salmasfattah, Novyananda Sanjaya, Rochmad Kris Shinta Mayasari Shinta Mayasari Sueb Sugeng Santoso Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Syntia Tanu Juwita Tiyas, Eka Wahyuning Tridoso Sapto A Tsamrotul Ilmi Willy Sandhika Wulansari, Ida Septika Yanti, Novirma Yosep Mosse Yosep Mosse1 yunadi, frisca dewi Yuneka Saristiana