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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

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

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

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.

IN SILICO PREDICTION OF BIOACTIVE TARGET CLASSES AND ADMET PROFILE OF CAPSAICIN WITH RELEVANCE TO DAYAK CHILI (Capsicum frutescens L.) Yuneka Saristiana; Fendy Prasetyawan; Lisa Savitri
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

Capsaicin is a well-known bioactive compound present in various Capsicum species, including Dayak chili (Capsicum frutescens L.). This study aimed to predict the bioactive target classes and ADMET profile of capsaicin using an in silico approach. The chemical structure of capsaicin was retrieved from the PubChem database and analyzed using SwissTargetPrediction, SwissADME, and pkCSM platforms. The prediction results indicated that capsaicin interacts with multiple protein classes, including oxidoreductases, cytochrome P450 enzymes, voltage-gated ion channels, G-protein-coupled receptors, hydrolases, phosphatases, kinases, and membrane receptors. High-probability predicted targets included PTGS1, CYP1A2, TRPV1, CNR1, and FAAH, suggesting potential anti-inflammatory, analgesic, neuromodulatory, and metabolic regulatory effects. ADMET analysis demonstrated favorable absorption and distribution characteristics, with predicted hepatotoxicity and hERG II inhibition requiring further investigation. These findings represent computational predictions and should be interpreted cautiously, as in silico results require further experimental validation. Capsaicin demonstrates multi-target potential that may support future pharmacological development and experimental studies.

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

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

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

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.

IN SILICO PREDICTION OF BIOACTIVE TARGET CLASSES AND ADMET PROFILE OF CAPSAICIN WITH RELEVANCE TO DAYAK CHILI (Capsicum frutescens L.) Yuneka Saristiana; Fendy Prasetyawan; Lisa Savitri
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

Capsaicin is a well-known bioactive compound present in various Capsicum species, including Dayak chili (Capsicum frutescens L.). This study aimed to predict the bioactive target classes and ADMET profile of capsaicin using an in silico approach. The chemical structure of capsaicin was retrieved from the PubChem database and analyzed using SwissTargetPrediction, SwissADME, and pkCSM platforms. The prediction results indicated that capsaicin interacts with multiple protein classes, including oxidoreductases, cytochrome P450 enzymes, voltage-gated ion channels, G-protein-coupled receptors, hydrolases, phosphatases, kinases, and membrane receptors. High-probability predicted targets included PTGS1, CYP1A2, TRPV1, CNR1, and FAAH, suggesting potential anti-inflammatory, analgesic, neuromodulatory, and metabolic regulatory effects. ADMET analysis demonstrated favorable absorption and distribution characteristics, with predicted hepatotoxicity and hERG II inhibition requiring further investigation. These findings represent computational predictions and should be interpreted cautiously, as in silico results require further experimental validation. Capsaicin demonstrates multi-target potential that may support future pharmacological development and experimental studies.

Edukasi Penggunaan Obat Vitamin D (Kalsiferol) untuk Menjaga Kesehatan Tulang dan Gigi pada Remaja disertai Literasi Biaya Kesehatan di Kecamatan Pogalan Fendy Prasetyawan; Yuneka Saristiana; Mohammad Firdaus Alshol; Herman Herman; Novyananda Salmasfattah; Lisa Savitri
Jumat Ekonomi: Jurnal Pengabdian Masyarakat Vol. 7 No. 1 (2026): April
Publisher : Lembaga Penelitian dan Pengabdian kepada Masyarakat Universitas KH. A. Wahab Hasbullah

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.32764/abdimasekon.v7i1.7191

Bone and dental health in adolescents are strongly influenced by adequate vitamin D intake; however, knowledge regarding its proper use remains limited, particularly in semi-urban areas. This community service activity aimed to improve adolescents’ understanding of rational vitamin D (calciferol) use accompanied by basic health-cost literacy education. The program was conducted on March 17, 2026, in Pogalan District and involved 12 adolescents. The study used a pre-experimental design with a one-group pretest–posttest approach. The intervention was carried out through interactive education covering the clinical aspects of vitamin D, rational drug use, and a simple introduction to preventive and curative costs related to vitamin D deficiency. Data analysis was performed using a paired sample t-test to compare knowledge scores before and after the intervention. The results showed a significant increase in knowledge scores after the intervention (p < 0.05), indicated by a shift in knowledge levels from low and moderate categories to predominantly high categories. These findings indicate that the integration of health education with health-cost literacy can support the improvement of adolescents’ understanding regarding the rational use of vitamin D. In conclusion, the educational intervention was effective in improving adolescents’ knowledge regarding the rational use of vitamin D.

IMMUNOLOGY OF INFECTION: MECHANISM OF IMMUNE RESPONSE AND IMPLICATION FOR THERAPEUTIC Lisa Savitri; Elfred Rinaldo Kasimo; Rochmad Krissanjaya
JURNAL PENA SAINS Vol 13, No 1 (2026): Jurnal Pena Sains
Publisher : Program Studi Pendidikan IPA, Fakultas Ilmu Pendidikan, Universitas Trunojoyo Madura

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.21107/jps.v13i1.29979

Infectious diseases, caused by pathogens such as bacteria, viruses, fungi, and parasites, continue to represent a significant global health challenge. The immune system plays a pivotal role in recognizing and eliminating these pathogens, but pathogens have evolved various mechanisms to evade immune responses, resulting in chronic infections and disease progression. This review aims to explore the mechanisms of immune responses to infections, focusing on innate and adaptive immune cells, pathogen recognition, and immune evasion strategies. The review also discusses the therapeutic implications of these findings, highlighting potential targets for developing new treatments. The innate immune response, which includes pattern recognition receptors (PRRs) such as Toll-like receptors (TLRs) and NOD-like receptors (NLRs), serves as the first line of defense. In contrast, the adaptive immune response involves T cells and B cells recognizing specific antigens on pathogens. Despite the immune system's defense mechanisms, pathogens can evade immune detection through antigenic variation and suppression of immune functions. Recent research has provided new insights into immune modulation and therapeutic targets, such as enhancing the innate immune response and targeting specific immune cell subsets. Vaccines remain a critical strategy for preventing infectious diseases. Continued advancements in immunology are crucial for developing more effective interventions to control and treat infectious diseases.

Anticancer Immunomodulatory Activity of Male Papaya Leaf Extract (Carica papaya L.) Through PD-1/PD-L1 Pathway Modulation: An In Silico and In Vitro Study 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.2026.151.1255-1263

Cancer immunotherapy targeting the programmed death-1/programmed death-ligand 1 (PD-1/PD-L1) pathway has shown remarkable clinical success; however, high costs and immune-related adverse effects remain major challenges. Natural products with immunomodulatory properties offer a promising alternative approach. Male papaya leaves (Carica papaya L.) are traditionally used in herbal medicine, yet their potential role in immune checkpoint modulation remains largely unexplored. This study aimed to investigate the anticancer immunomodulatory activity of male papaya leaf extract through PD-1/PD-L1 pathway modulation using integrated in silico and in vitro approaches. Molecular docking analysis was performed to evaluate the interaction between major phytochemical compounds and PD-1/PD-L1 proteins. In vitro cytotoxic activity was assessed using the MTT assay on cancer cell lines, while immunomodulatory effects were evaluated by measuring interferon-gamma (IFN-gamma) and interleukin-2 (IL-2) levels using ELISA. PD-L1 protein expression in treated cancer cells was analyzed by Western blotting. The docking results demonstrated strong binding affinities of flavonoid compounds, particularly quercetin, toward PD-L1, involving key residues at the active binding site. The extract exhibited dose-dependent cytotoxic effects with moderate IC50 values. Treatment with male papaya leaf extract significantly increased IFN-gamma and IL-2 secretion in immune cells and markedly downregulated PD-L1 protein expression in cancer cells. In conclusion, male papaya leaf extract exhibits promising anticancer immunomodulatory activity by modulating the PD-1/PD-L1 immune checkpoint pathway. These findings highlight the potential of male papaya leaves as a natural source of immune checkpoint modulators and support further investigation for their development as complementary agents in cancer immunotherapy.

Immunomodulatory Effects of Male Papaya Leaf Extract (Carica papaya L.) on Interferon-gamma and Interleukin-6 Levels in an In Vivo Viral 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.2026.151.1139-1143

Viral infections pose a significant challenge to global health due to their ability to disrupt immune homeostasis and trigger excessive inflammatory responses. Immunomodulatory agents that enhance antiviral immunity while controlling inflammation are therefore essential. This study aimed to evaluate the immunomodulatory effects of male papaya leaf extract (Carica papaya L.) on Interferon-gamma (IFN-gamma) and Interleukin-6 (IL-6) levels in an in vivo viral infection model. Male papaya leaves were extracted using 70% ethanol and administered orally to virus-infected Wistar rats at two different doses for 14 days. Serum levels of IFN-gamma and IL-6 were measured using enzyme-linked immunosorbent assay (ELISA). The results demonstrated that viral infection significantly decreased IFN-gamma levels and increased IL-6 levels compared to the normal control. Treatment with male papaya leaf extract resulted in a dose-dependent increase in IFN-gamma and a significant reduction in IL-6 levels compared to the negative control group. The high-dose extract group showed the most pronounced immunomodulatory effect, comparable to or exceeding that of the positive control. These findings indicate that male papaya leaf extract has potential as a natural immunomodulatory agent by enhancing antiviral immune responses and suppressing excessive inflammation. Further studies are recommended to explore its molecular mechanisms and therapeutic applications.

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