@article {2063, title = {Interaction of Masilinic Acid from Clove Plant (Syzygium aromaticum) with CD81 Antigen in Inhibiting HIV Virus Regulation In Silico}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {484-488}, type = {Original Article }, chapter = {484}, abstract = {

This research explores the interaction of Masilinic Acid from the clove plant (Syzygium aromaticum) with the CD81 antigen to inhibit HIV virus regulation in silico. Using computational methods such as Pymol, Pyrex, and Protein Plus, we demonstrate that Masilinic Acid can significantly interact with the CD81 antigen. The obtained data shows binding affinities of -6.4, -6.2, and -5.7, and RMSD values of 0, 1.885, and 1.952. Further detailed interaction analysis with Protein Plus strengthens these findings, providing evidence of a strong interaction between Masilinic Acid and the CD81 antigen. This study also includes the testing of the Lepinski Rule of Five to assess the potential of Masilinic Acid as a drug candidate, with results indicating a mass of 472, three hydrogen bond donors, four hydrogen bond acceptors, a log P value of 6.2, and a molar reactivity of 134. These results indicate that Masilinic Acid has the potential as an inhibitor of the CD81-HIV interaction, which can be utilized as an effective antiviral strategy. Key words: Masilinic Acid, Clove plant, CD81 antigen, HIV virus, In silico.

}, keywords = {CD81 antigen, Clove plant, HIV virus, In Silico., Masilinic Acid}, doi = {10.5530/pj.2023.15.106}, author = {Rahadian Zainul and Elsa Yanuarti and Siti Amiroch and Muhammad Thoriq Albari and Rismi Verawati and Amalia Putri Lubis and AAA Murtadlo} } @article {1800, title = {Utilization of Secondary Metabolites in Algae Kappaphycus alvarezii as a Breast Cancer Drug with a Computational Method}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {June 2022}, pages = {536-543}, type = {Original Article}, chapter = {536}, abstract = {

Breast cancer is one of the worst diseases that affect female people. Long-term treatment with therapy or surgery has a detrimental impact on the patient. The algae Kappaphycus alvarezii has gotten a lot of interest as a breast cancer medication because it contains chemicals that are expected to be anti-cancer. The objectives of this paper were to see how secondary metabolites in algae interact with the Nuclear Factor- kappaB protein kinase in breast cancer. The ligands and proteins were obtained from the PubChem and PDB websites, respectively. Swiss ADME was then used to assess the Pharmacokinetics and Drug likeness Properties. The last stage involved using molecular docking with PyRx and molecular dynamics to identify the interaction and visualization between the ligand and the target protein. The findings of the test revealed that the maraniol chemical had a superior binding capacity with NF kB protein kinase because it has a chromone group that controls transport efficiently in preventing breast cancer proliferation.

}, keywords = {Breast cancer, K. alvarezii, Molecular Docking., NF kB protein kinase}, doi = {10.5530/pj.2022.14.68}, author = {AF Dibha and S Wahyuningsih and ANM Ansori and VD Kharisma and MH Widyananda and AA Parikesit and MT Sibero and RT Probojati and AAA Murtadlo and JP Trinugroho and TH Sucipto and DDR Turista and I Rosadi and ME Ullah and V Jakhmola and R Zainul} }