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All Journal ad-Dawaa : Journal of Pharmaceutical Sciences Indonesian Journal of Pharmacy and Natural Product
Wismayani, Leni
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Biochemistry, Genetics & Molecular Biology Chemistry Immunology & microbiology Materials Science & Nanotechnology Medicine & Pharmacology

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HMG-CoA Reductase Inhibitory Activity Potential of Iota-, Kappa-, and Lambda-carrageenan: A Molecular Docking Approach Setiawansyah, Arif; Muh Ikhlas Arsul; Adliani, Nur; Wismayani, Leni
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol 5 No 2 (2022)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v5i2.32721

Abstract

HMG-CoA reductase is an essential enzyme responsible for the biosynthesis of cholesterol. Hyperactivity of HMG-CoA reductase will increase cholesterol production, leading to the elevation of blood cholesterol levels. Inhibition of HMG-CoA reductase is one way to block cholesterol biosynthesis to lower blood cholesterol levels. This study evaluated the inhibitory potential of iota-, kappa-, and lambda-carrageenan against HMG-CoA reductase. The study was undertaken by in silico method using a molecular docking approach via Autodock 4.2 assisted by ADT graphical user interface. HMG-CoA reductase co-crystal structure was used as the target, and iota-, kappa-, and lambda-carrageenan as the test ligands. The result revealed that iota- and lambda-carrageenan possess an excellent affinity to HMG-CoA reductase with the free binding energy of -12.44 and -11.87 kcal/mol and Ki value of 0.765 and 2.01 nM, respectively, which is found to be better than Simvastatin and the native ligand. The compounds' chemical properties influenced the molecules' molecular interactions affecting their affinity. The number of SO4 groups is assumed to affect the HMG-CoA reductase inhibitory activity of iota-, kappa-, and lambda-carrageenan. KEYWORDS: iota-, kappa-, and lambda-carrageenan; HMG-CoA reductase; inhibitory activity; molecular docking
Aaptamine Enhanced Doxorubicin Activity on B-Cell Lymphoma 2 (Bcl-2): A Multi-Structural Molecular Docking Study Setiawansyah, Arif; Susanti, Gita; Alrayan, Reza; Hadi, Ismanurrahman; Ikhlas Arsul, Muhammad; Luthfiana, Dewi; Wismayani, Leni; Hidayati, Nurul
Ad-Dawaa: Journal of Pharmaceutical Sciences Vol. 7 No. 1 (2024)
Publisher : Universitas Islam Negeri Alauddin Makassar

Show Abstract | Download Original | Original Source | Check in Google Scholar | DOI: 10.24252/djps.v7i1.46796

Abstract

Doxorubicin, a widely used chemotherapeutic agent, targets Bcl-2, but its efficacy can be limited by drug resistance. Its combination with natural derived compound can be a therapeutic approach to overcome this problem. This study aimed to investigate the molecular interactions and binding affinities of aaptamine and doxorubicin with Bcl-2 using molecular docking simulations, and to evaluate the potential synergistic effects of their combination. Molecular docking studies were performed to predict the binding modes and affinities of aaptamine and doxorubicin along with their combination to Bcl-2. Molecular docking simulation results showed that aaptamine binds to the BH3 binding groove of Bcl-2, forming key interactions with residues like Asp70, Tyr67, Phe112 and Glu111. Aaptamine stabilized the binding of doxorubicin to Bcl-2 through hydrophobic bonding and van der Waals interactions, resulting in enhanced binding affinity. The combination of aaptamine and doxorubicin exhibits synergistic anticancer effects by enhancing the binding affinity of doxorubicin to Bcl-2. Molecular docking simulations provided insights into the stabilizing interactions between aaptamine, doxorubicin, and Bcl-2, suggesting a potential strategy for overcoming Bcl-2-mediated drug resistance in cancer. However, further in vitro investigation is needed to be implemented.
Penentuan Kadar Fenolik dan Flavonoid Total Ekstrak Daun Renggak (Amomum dealbatum Roxb.) dari Berbagai Pelarut Secara Spektrofotometri Uv-Vis Wismayani, Leni; Roni, Abdul; Minarsih, Tri
Indonesian Journal of Pharmacy and Natural Product Vol. 5 No. 2 (2022)
Publisher : Universitas Ngudi Waluyo

Show Abstract | Download Original | Original Source | Check in Google Scholar | Full PDF (240.204 KB) | DOI: 10.35473/ijpnp.v5i2.1879

Abstract

Renggak plant (Amomum dealbatum Roxb.) is one of the plants known to contain secondary metabolites such as phenolic and flavonoids compounds that have antioxidant activity. The content of secondary metabolites of renggak leaf extract is strongly influenced by the effectiveness of the solvent in attracting metabolites during the extraction process. The purpose of this study was to determine the effect of different solvents on the total phenolic and flavonoid content of the renggak leaf extract (Amomum dealbatum Roxb.) and to determine the solvent that produced the highest total phenolic and flavonoid content using the Uv-Vis Spectrophotometry method. The results showed that the highest total phenolic and flavonoid content of renggak leaf extract was in methanol extract with a total phenolic content value of 13.2152 mgGAE/g and total flavonoid content of 19.0944 mgQE/g. Based on the results of the statistical analysis of the Tukey Post Hoc test, it was found that there was a significant difference (p<0.05) between the total phenolic and flavonoid levels of the methanol, ethyl acetate and n-hexane extracts where the use of the type of solvent had a significant effect (p<0.05) on the amount of total phenolic and flavonoid content of the renggak leaf extract (Amomum dealbatum Roxb.) produced.ABSTRAKTanaman renggak (Amomum dealbatum Roxb.) merupakan salah satu tanaman yang diketahui mengandung metabolit sekunder seperti senyawa fenolik dan flavonoid sehingga memiliki aktivitas sebagai antioksidan. Kandungan metabolit sekunder ekstrak daun renggak sangat dipengaruhi oleh efektifitas pelarut dalam menarik senyawa metabolit saat proses ekstraksi. Tujuan penelitian ini untuk mengetahui pengaruh perbedaan pelarut terhadap kadar fenolik dan flavonoid total ekstrak daun renggak (Amomum dealbatum Roxb.) serta mengetahui pelarut yang menghasilkan kadar fenolik dan flavonoid total terbesar menggunakan metode Spektrofotometri Uv-Vis. Hasil penelitian didapatkan bahwa rata-rata kadar fenolik dan flavonoid total ekstrak daun renggak tertinggi berada pada ekstrak metanol dengan nilai kadar fenolik total 13,2152 mgGAE/g dan kadar flavonoid total 19,0944 mgQE/g. Berdasarkan hasil analisis statistik Uji Tukey Post Hoc didapatkan bahwa terdapat perbedaan signifikan (p<0,05) antara kadar fenolik dan flavonoid total ekstrak metanol, etil asetat dan n-heksana dimana penggunaan jenis pelarut berpengaruh bermakna (p<0,05) terhadap besarnya kadar fenolik dan flavonoid total ekstrak daun renggak (Amomum dealbatum Roxb.) yang dihasilkan.
Co-Authors Alrayan, Reza Arif Setiawansyah Gita Susanti, Gita Hadi, Ismanurrahman Ikhlas Arsul, Muhammad Luthfiana, Dewi Muh Ikhlas Arsul Nur Adliani Nurul Hidayati Roni, Abdul Tri Minarsih