@article {2083, title = {Interaction of Cynaroside from Orthosiphon Aristatus Plant Extract on TNF Alpha as a Stimulant in Malaria and Asthma}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {581-586}, type = {Research Article}, chapter = {581}, abstract = {

This research aims to investigate the interaction between cynaroside, a natural compound found in Orthosiphon aristatus plant extract, with TNF Alpha as a stimulant in the context of malaria and asthma. The research method involved an in-silico approach using software such as Pymol, PyRx, Protein Plus, and the Lepinski Rule. The results of the study showed that cynaroside has a significant interaction with TNF Alpha, as indicated by high Binding Affinity values of -9.6, -9.3, and -9.2. Analysis using Protein Plus confirmed the interaction between cynaroside and TNF Alpha. Additionally, evaluation using the Lepinski Rule of Five revealed that cynaroside has physicochemical characteristics suitable as a potential drug compound, with a mass of 448, hydrogen bond donors of 7, hydrogen bond acceptors of 11, log p -0.401, and molar reactivity of 105.2. These findings provide a deeper understanding of the potential of cynaroside in regulating the immune response to malaria and asthma through its interaction with TNF Alpha. These results can serve as an important basis for further research in the development of more targeted and effective therapies for both of these diseases

}, keywords = {Asthma., Cynaroside, Malaria, Molecular docking, Orthosiphon aristatus, TNF Alpha}, doi = {10.5530/pj.2023.15.123}, author = {Rahadian Zainul and Rismi Verawati and Gemini Alam and Khoirun Nisyak and Trisna Kumala Sari and Muhammad Arya Ghifari and Ritbey Ruga and Putri Azhari and Romadhon and Himmatul Barroroh and Riso Sari Mandeli and Devi Purnamasari and Viol Dhea Kharisma and Vikash Jakhmola and Maksim Rebezov and ANM Ansori} } @article {2084, title = {Stimulation of Emodin from Aloe Vera on Protein Kinase PIM1 in the Central Nervous System Through In Silico Analysis}, journal = {Pharmacognosy Journal}, volume = {15}, year = {2023}, month = {August 2023}, pages = {587-592}, type = {Research Article}, chapter = {587}, abstract = {

This study aims to investigate the potential of Emodin, a compound found in Aloe vera, as a stimulator of Protein Kinase PIM1 in the central nervous system using an in-silico approach. The research method involves the use of software such as Pymol, Pyrex, Protein Plus, and Lepinski Rule. Firstly, the protein structure of the target Protein Kinase PIM1 was obtained from a protein database and prepared using Pymol. Next, the molecular structure of Emodin was imported into Pyrex and subjected to geometry optimization. Docking analysis using Pymol was performed to predict the molecular interactions between Emodin and Protein Kinase PIM1. Additionally, RMSD analysis was conducted to evaluate the stability of the protein-ligand complex formed. The docking analysis results showed that Emodin exhibited significant Binding Affinity, with values of -8.4, -8.3, and -8.2, indicating a strong affinity between Emodin and Protein Kinase PIM1. The RMSD analysis indicated the stability of the protein-ligand complex, with RMSD values of 0, 1.101, and 1.122. Furthermore, analysis using Protein Plus revealed the presence of interactions between Emodin and Protein Kinase PIM1 through hydrogen bonding and hydrophobic contacts. The results of the Lepinski Rule analysis demonstrated that Emodin fulfilled several important criteria in drug design, including a molecular weight of 270, 3 hydrogen bond donors, 5 hydrogen bond acceptors, a log p value of 1.887220, and a molar reactivity of 64.480385. These findings indicate the potential of Emodin as a stimulator of Protein Kinase PIM1 in the central nervous system and provide an important foundation for the development of potential therapies for central nervous system-related disorders.

}, keywords = {Central Nervous System, Emodin, Molecular Docking., PIM1 Kinase, Stimulation}, doi = {10.5530/pj.2023.15.124}, author = {Rahadian Zainul and Rismi Verawati and Ritbey Ruga and Muhammad Arya Ghifari and Devi Purnamasari and Putri Azhari and Viol Dhea Kharisma and Vikash Jakhmola and Maksim Rebezov and ANM Ansori} }