Desulfurization protein named DszC from Rhodococcus erythropolis is the key enzyme for biodesulforization of dibenzothiophene (DBT) in 4S pathway, which is a pathway with four enzymes. DszC enzyme biodesulfurizes DBT and its derivatives in oil components and biphasic systems. It functions well at the oil- water interface. In this study point mutation performed in DszC enzyme regarding to increa...

Molecular docking study was performed on a series of 28 Diarylsulfonylureas LD1-LD28 as potential cyclin-dependent kinase 2 (CDK2) inhibitors. The docking technique was applied to dock a set of representative compounds within the active site region of 3PY1 using Molegro Virtual Docker v 5.0. For these compounds, the binding free energy (kcal/mol) was determined. The docking simulation clearly p...

Brain derived neurotrophic factor (BDNF) is a member of neurotrophic family of growth factors, mainly found in the hippocampus and cerebral cortex of brain. Studies have shown that there is a link between BDNF and cognitive dysfunction, as well as there is a relationship between the PUFAs intake and their effect on BDNF production. Intake of PUFAs, mainly omega-3 and omega-6 has show increase i...

The HBx protein in Hepatitis B Virus (HBV) is a potential target for anti-liver cancer molecules. Therefore, it is of interest to screen known natural compounds against the HBx protein using molecular docking. However, the structure of HBx is not yet known. Therefore, the predicted structure of HBx using threading in LOMET was used for docking against plant derived natural compounds (curcumin, ...

Greenhouse whiteflies, Trialeurodes vaporariorum, are very small sucker-whipper-type pests of the family Aleyrodidae. They cause considerable damage to greenhouse crops in first order and show resistance chemical insecticides. In this context, we dedicated study control pest through active ingredients extracted from leaf fruit part pepper tree, Schinus molle by inhibiting chemosensory protein r...

Penelitian ini bertujuan mengeksplorasi senyawa kimia kulit kopi sebagai anti Covid-19 (anti-3C-like protease). Analisis in silico dilakukan dengan tahapan pengambilan struktur dan protein, preparasi penginteraksian protein 3CL-Pro. Docking program Molegro virtual Docker 5 divisualisasi Discovery Studio versi 21.1.1. Senyawa yang terkandung dalam kopi, yaitu quinic acid, gluconic acid maupun fe...

Momordica charantia Linn. (Pare) adalah salah satu tanaman yang sering digunakan oleh masyarakat untuk menurunkan kadar gula darah pada pasien diabetes militus. Secara empiris Fitokimia terkandung berasa pahit dipercaya dapat melawan efek manis dari gula. Oleh karena itu Penelitian ini bertujuan mengidentifikasi mekanisme penghambatan enzim alfa glukosidase senyawa yaitu cucurbitene, lanostene,...