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Center of Computational Studies in Pharmaceutical Science
Advancing Pharmaceutical Research Through Computational Innovation
Advancing Pharmaceutical Research Through Computational Innovation
PharmaSynthix is a specialized research and consulting center dedicated to advancing pharmaceutical sciences through computational approaches. We provide integrated scientific services ranging from in silico research, computational chemistry, data analysis, scientific writing, and publication assistance to professional training and mentoring.
By combining scientific expertise, advanced computational tools, and publication-oriented strategies, PharmaSynthix helps researchers, students, academic institutions, healthcare organizations, and industry partners transform ideas into impactful scientific outputs.
Whether supporting drug discovery projects, natural product research, cosmetic science studies, or publication preparation, PharmaSynthix serves as a trusted partner in achieving research excellence.
Research Highlights
Research Highlights
Arsul, M. I., Setiawansyah, A., Insanu, M., & Fidrianny, I. (2026). Antihyperuricemia and chemical composition of Boehmeria virgata, in vitroand in silico approach with ADME prediction. Natural Product Research, 40(12), 3429–3434. https://doi.org/10.1080/14786419.2025.2471848
Arsul, M. I., Setiawansyah, A., Insanu, M., & Fidrianny, I. (2026). Antihyperuricemia and chemical composition of Boehmeria virgata, in vitroand in silico approach with ADME prediction. Natural Product Research, 40(12), 3429–3434. https://doi.org/10.1080/14786419.2025.2471848
Siregar, M. H., Nurdiana, N., Bal’afif, F., Djajalaksana, S., & Setiawansyah, A. (2026). Furosemide Increases GABAA Receptor Activity via Antagonism to Sodium-Potassium-Chloride Cotransporter 1 In Silico and In Vivo. Journal of Multidisciplinary Applied Natural Science, 6(2), 900–918. https://doi.org/10.47352/jmans.2774-3047.365
Siregar, M. H., Nurdiana, N., Bal’afif, F., Djajalaksana, S., & Setiawansyah, A. (2026). Furosemide Increases GABAA Receptor Activity via Antagonism to Sodium-Potassium-Chloride Cotransporter 1 In Silico and In Vivo. Journal of Multidisciplinary Applied Natural Science, 6(2), 900–918. https://doi.org/10.47352/jmans.2774-3047.365
Marpaung,M P , Khoirunnisa,K , Besi,A P , Febriyanto,G , Hadi,I , Reynaldi,M A , Molidia,S R , Wilsya,M , Hardiansyah,S C , Setiawansyah,A and Arsul,M I . (2026). Structure–Reactivity Relationship and Antioxidant-Relevant Molecular Dynamics of O-(4-Aminophenethyl) S-Methyl Carbonothioate: Insights from Quantum Chemical Calculations. Advanced Journal of Chemistry, Section A, 9(11), 2133-2147. https://doi:10.48309/ajca.2026.571737.2029
Marpaung,M P , Khoirunnisa,K , Besi,A P , Febriyanto,G , Hadi,I , Reynaldi,M A , Molidia,S R , Wilsya,M , Hardiansyah,S C , Setiawansyah,A and Arsul,M I . (2026). Structure–Reactivity Relationship and Antioxidant-Relevant Molecular Dynamics of O-(4-Aminophenethyl) S-Methyl Carbonothioate: Insights from Quantum Chemical Calculations. Advanced Journal of Chemistry, Section A, 9(11), 2133-2147. https://doi:10.48309/ajca.2026.571737.2029
Harmani Kalim,M G F , Rohman,M S , Sargowo,D , Winarsih,S , Nugrahenny,D , Sujuti,H , Setiawansyah,A and Arifah,S N . (2026). Multiscale Computational and Molecular Analysis of Empagliflozin Reveals Anti-Fibrotic Mechanisms via EGFR/mTOR/NFκB–Mediated Collagen Synthesis. Advanced Journal of Chemistry, Section A, 9(11), 2013-2039. https://doi.org/10.48309/ajca.2026.578911.2089
Harmani Kalim,M G F , Rohman,M S , Sargowo,D , Winarsih,S , Nugrahenny,D , Sujuti,H , Setiawansyah,A and Arifah,S N . (2026). Multiscale Computational and Molecular Analysis of Empagliflozin Reveals Anti-Fibrotic Mechanisms via EGFR/mTOR/NFκB–Mediated Collagen Synthesis. Advanced Journal of Chemistry, Section A, 9(11), 2013-2039. https://doi.org/10.48309/ajca.2026.578911.2089
Wirasisya, D. G., Kincses, A., Setiawansyah, A., Barta, A., Chang, F. R., & Hohmann, J. (2026). Phytochemical study of Homalanthus giganteus: isolation, antiproliferative activity, and computational mechanistic insights of tigliane diterpenes against colorectal cancer. Pharmaceutical Biology, 64(1), 312–333. https://doi.org/10.1080/13880209.2026.2629733
Wirasisya, D. G., Kincses, A., Setiawansyah, A., Barta, A., Chang, F. R., & Hohmann, J. (2026). Phytochemical study of Homalanthus giganteus: isolation, antiproliferative activity, and computational mechanistic insights of tigliane diterpenes against colorectal cancer. Pharmaceutical Biology, 64(1), 312–333. https://doi.org/10.1080/13880209.2026.2629733
Utami, N., Setiawansyah, A., Bashari, M. H., Usman, H. A., Azhar, R. Y., & Khairani, A. F. (2026). Integrative Computational and Transcriptional Analysis of NF-κB and HIF-1α Modulation Following Doxorubicin Treatment in Triple-Negative Breast Cancer Cells. Journal of Experimental Pharmacology, 18. https://doi.org/10.2147/JEP.S576572
Utami, N., Setiawansyah, A., Bashari, M. H., Usman, H. A., Azhar, R. Y., & Khairani, A. F. (2026). Integrative Computational and Transcriptional Analysis of NF-κB and HIF-1α Modulation Following Doxorubicin Treatment in Triple-Negative Breast Cancer Cells. Journal of Experimental Pharmacology, 18. https://doi.org/10.2147/JEP.S576572
Haeria D., Andi A.M., Rahmi F.L.J., Riska Y., Ainun S., Fitri S.F., Akmal Z., Arif S., Muhammad I.A., Alwiyah N.S., & Muhammad I.A. (2026). Biotechnological and Nutraceutical Evaluation of Boehmeria virgata root extract: Phytochemical profiling, antidiabetic bioactivity, and safety assessment. Biocatalysis and Agricultural Biotechnology, Volume 73, 104007, https://doi.org/10.1016/j.bcab.2026.104007
Haeria D., Andi A.M., Rahmi F.L.J., Riska Y., Ainun S., Fitri S.F., Akmal Z., Arif S., Muhammad I.A., Alwiyah N.S., & Muhammad I.A. (2026). Biotechnological and Nutraceutical Evaluation of Boehmeria virgata root extract: Phytochemical profiling, antidiabetic bioactivity, and safety assessment. Biocatalysis and Agricultural Biotechnology, Volume 73, 104007, https://doi.org/10.1016/j.bcab.2026.104007
Siregar, M. H., Nurdiana, N., Bal’afif, F., Djajalaksana, S., & Setiawansyah, A. (2026). Furosemide Increases GABAA Receptor Activity via Antagonism to Sodium-Potassium-Chloride Cotransporter 1 In Silico and In Vivo. Journal of Multidisciplinary Applied Natural Science, 6(2), 900–918. https://doi.org/10.47352/jmans.2774-3047.365
Siregar, M. H., Nurdiana, N., Bal’afif, F., Djajalaksana, S., & Setiawansyah, A. (2026). Furosemide Increases GABAA Receptor Activity via Antagonism to Sodium-Potassium-Chloride Cotransporter 1 In Silico and In Vivo. Journal of Multidisciplinary Applied Natural Science, 6(2), 900–918. https://doi.org/10.47352/jmans.2774-3047.365
Setiawansyah, A., Khairunnisa, K., & Wilsya, M. (2026). What Solvent is Actually the Best for Extracting Andrographolide? – Computational Evaluation of the Atomic Behavior in Different Solvent Models. Sinteza, 6(1), 37–51. https://doi.org/10.29408/sinteza.v6i1.33127
Setiawansyah, A., Khairunnisa, K., & Wilsya, M. (2026). What Solvent is Actually the Best for Extracting Andrographolide? – Computational Evaluation of the Atomic Behavior in Different Solvent Models. Sinteza, 6(1), 37–51. https://doi.org/10.29408/sinteza.v6i1.33127
Siregar, M., Hasudungan, Nurdiana, N., Bal'afif, F. Djajalaksana, S. & Setiawansyah, A. (2026). Comprehensive Bioinformatics, Molecular Docking, and In Vivo Investigation of a Novel Mechanistic Pathway in Pentylenetetrazole-Induced Seizures. Advanced Journal of Chemistry, Section A, 9(5), 919-939. https://doi.org/10.48309/ajca.2026.561381.1974
Siregar, M., Hasudungan, Nurdiana, N., Bal'afif, F. Djajalaksana, S. & Setiawansyah, A. (2026). Comprehensive Bioinformatics, Molecular Docking, and In Vivo Investigation of a Novel Mechanistic Pathway in Pentylenetetrazole-Induced Seizures. Advanced Journal of Chemistry, Section A, 9(5), 919-939. https://doi.org/10.48309/ajca.2026.561381.1974
Hadi, I., Harimurti, S., Wibowo, A.E. & Setiawansyah, A . (2026). Integrating Multi-Analysis of an In Silico Approach to Investigate Cinnamaldehyde as a Drugs Candidate. Advanced Journal of Chemistry, Section A, 9(4), 626-637. https://doi.org/10.48309/ajca.2026.548661.1937
Hadi, I., Harimurti, S., Wibowo, A.E. & Setiawansyah, A . (2026). Integrating Multi-Analysis of an In Silico Approach to Investigate Cinnamaldehyde as a Drugs Candidate. Advanced Journal of Chemistry, Section A, 9(4), 626-637. https://doi.org/10.48309/ajca.2026.548661.1937
Christian, Y. E., Rachmawati, P., Susanto, S., & Setiawansyah, A. (2025). The Potential of Cantigi Leaves Extract (Vaccinium varingiaefolium Miq.) as a Skin-Lightening Agent Through Tyrosinase Enzyme Inhibition. Ad-Dawaa’ Journal of Pharmaceutical Sciences, 8(2), 271–282. https://doi.org/10.24252/djps.v8i2.61520
Christian, Y. E., Rachmawati, P., Susanto, S., & Setiawansyah, A. (2025). The Potential of Cantigi Leaves Extract (Vaccinium varingiaefolium Miq.) as a Skin-Lightening Agent Through Tyrosinase Enzyme Inhibition. Ad-Dawaa’ Journal of Pharmaceutical Sciences, 8(2), 271–282. https://doi.org/10.24252/djps.v8i2.61520
Esmat, H., Mohammed, A.S.A., Elmasry, S.A., Setiawansyah, A., & Lotfy, M. (2025). Potential Antioxidant and Antidiabetic Activities of Egyptian Eucalyptus Citriodora (Corymbia citriodora) Leaves Aqueous Extract. Egyptian Academic Journal of Biological Sciences, C Physiology & Molecular Biology, 17(2). https://10.21608/EAJBSC.2025.470515
Esmat, H., Mohammed, A.S.A., Elmasry, S.A., Setiawansyah, A., & Lotfy, M. (2025). Potential Antioxidant and Antidiabetic Activities of Egyptian Eucalyptus Citriodora (Corymbia citriodora) Leaves Aqueous Extract. Egyptian Academic Journal of Biological Sciences, C Physiology & Molecular Biology, 17(2). https://10.21608/EAJBSC.2025.470515
Sari, T. A., Setiawansyah, A., Rachmawati, H., Melia Kartika, C., Nurul Fadila, N., Pranidya Tilarso, D., & Melani, F. (2025). Chemical composition and ameliorative effect of Cinnamomum burmanni (Nees & T.Nees) Blume essential oil nanoemulgel in UVB-induced skin photoaging C57BL/6 mice: in vivo and in silico studies. Natural Product Research, 1–11. https://doi.org/10.1080/14786419.2025.2594732
Sari, T. A., Setiawansyah, A., Rachmawati, H., Melia Kartika, C., Nurul Fadila, N., Pranidya Tilarso, D., & Melani, F. (2025). Chemical composition and ameliorative effect of Cinnamomum burmanni (Nees & T.Nees) Blume essential oil nanoemulgel in UVB-induced skin photoaging C57BL/6 mice: in vivo and in silico studies. Natural Product Research, 1–11. https://doi.org/10.1080/14786419.2025.2594732
Setiawansyah, A., Widiyawati, A. T., Sari, M. S. D., Reynaldi, M. A., Hidayati, N., Alrayan, R., & Nugroho, S. A. (2025). FT-IR-based fingerprint combined with unsupervised chemometric analysis revealed particle sizes and aqueous-ethanol ratio alter the chemical composition and nutraceutical value of Daucus carota. Natural Product Research, 39(22), 6483–6491. https://doi.org/10.1080/14786419.2024.2376351
Setiawansyah, A., Widiyawati, A. T., Sari, M. S. D., Reynaldi, M. A., Hidayati, N., Alrayan, R., & Nugroho, S. A. (2025). FT-IR-based fingerprint combined with unsupervised chemometric analysis revealed particle sizes and aqueous-ethanol ratio alter the chemical composition and nutraceutical value of Daucus carota. Natural Product Research, 39(22), 6483–6491. https://doi.org/10.1080/14786419.2024.2376351
Nurhidayati,N , Yueniwati,Y , Endharti,A T , Permatasari,H K and Setiawansyah,A . (2025). Chemical Binding Free Energy and Anti-Free Radical of Chemical Compounds from Sea Cucumber (𝑯𝒐𝒍𝒐𝒕𝒉𝒖𝒓𝒊𝒂 𝒔𝒄𝒂𝒃𝒓𝒂) Against Malondialdehyde and Akt. Advanced Journal of Chemistry, Section A, 8(11), 1709-1723. https://doi.org/10.48309/ajca.2025.518195.1827
Nurhidayati,N , Yueniwati,Y , Endharti,A T , Permatasari,H K and Setiawansyah,A . (2025). Chemical Binding Free Energy and Anti-Free Radical of Chemical Compounds from Sea Cucumber (𝑯𝒐𝒍𝒐𝒕𝒉𝒖𝒓𝒊𝒂 𝒔𝒄𝒂𝒃𝒓𝒂) Against Malondialdehyde and Akt. Advanced Journal of Chemistry, Section A, 8(11), 1709-1723. https://doi.org/10.48309/ajca.2025.518195.1827
Yulianis, Y., Supriyono, A., Rustini, R., Setiawansyah, A., & Handayani, D. (2025). Novel carbonothioate from Paecilomyces subglobosus CBK3: antibacterial and anticancer in vitro and in silico study. Natural Product Research, 1–11. https://doi.org/10.1080/14786419.2025.2559763
Yulianis, Y., Supriyono, A., Rustini, R., Setiawansyah, A., & Handayani, D. (2025). Novel carbonothioate from Paecilomyces subglobosus CBK3: antibacterial and anticancer in vitro and in silico study. Natural Product Research, 1–11. https://doi.org/10.1080/14786419.2025.2559763
Setiawansyah, A. (2025). Network pharmacology and molecular docking simulation uncovered the potential of hexacyclinic acid as anti-osteoarthritis by regulating IL-17 signaling pathway. Acta Chimica Asiana, 8(1), 584–598. https://doi.org/10.29303/aca.v8i1.238
Setiawansyah, A. (2025). Network pharmacology and molecular docking simulation uncovered the potential of hexacyclinic acid as anti-osteoarthritis by regulating IL-17 signaling pathway. Acta Chimica Asiana, 8(1), 584–598. https://doi.org/10.29303/aca.v8i1.238
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