@article {1740, title = {Bioactive Compounds from Mangosteen (Garcinia mangostana L.) as an Antiviral Agent via Dual Inhibitor Mechanism against SARSCoV- 2: An In Silico Approach}, journal = {Pharmacognosy Journal}, volume = {14}, year = {2022}, month = {February 2022}, pages = {85-90}, type = {Original Article}, chapter = {85}, abstract = {

Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) is the virus that causes COVID-19 which is responsible for respiratory illness infection in humans. The virus was first identified in China in 2019 and later spread to other countries worldwide. This study aims to identify the bioactive compounds from mangosteen (Garcinia mangostana L.) as an antiviral agent via dual inhibitor mechanisms against two SARS-CoV-2 proteases through the in silico approach. The three-dimensional structure of various bioactive compounds of mangosteen from the database was examined. Furthermore, all the target compounds were analyzed for drug, antiviral activity prediction, virtual screening, molecular interactions, and threedimensional structure visualization. It aimed to determine the potential of the bioactive compounds from mangosteen that can serve as antiviral agents to fight SARS-CoV-2. Results showed that the bioactive compounds from mangosteen have the prospective to provide antiviral agents that contradict the virus via dual inhibitory mechanisms. In summary, the binding of the various bioactive compounds from mangosteen results in low binding energy and is expected to have the ability to induce any activity of the target protein binding reaction. Therefore, it allows various bioactive compounds from mangosteen to act as dual inhibitory mechanisms for COVID-19 infection.

Key words: Antiviral agent, COVID-19, Garcinia mangostana L., In silico approach, SARS-CoV-2.

}, doi = {10.5530/pj.2022.14.12}, author = {ANM Ansori and VD Kharisma and AA Parikesit and FA Dian and RT Probojati and M Rebezov and P Scherbakov and P Burkov and G Zhdanova and A Mikhalev and Y Antonius and MRF Pratama and NI Sumantri and TH Sucipto and R Zainul} } @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} }