Background: Analysis of atomic coordinates protein-ligand complexes can provide three-dimensional data to generate computational models evaluate binding affinity and thermodynamic state functions. Application machine learning techniques create assess potential energy affinity. These methods show superior predictive performance when compared with classical scoring functions available in docking ...

The objective of this study is to investigate S.hermanni's antimalarial action against PfHT1 utilizing an in silico technique. In method, developing a protein target database by searching and collecting the structures from Protein Data Bank (PDB) UNIPROT databases. (PDB ID 6m20) with glucose control. Download all ligand PubChem database. Molecular docking analysis Molegro virtual docker predict...

Papain-like protease is a SARSCOV-2 that functions for ubiquitination in host cells. Caffeine compounds have been widely reported to antioxidant, anti-inflammatory, antidiabetic, and antiobesity activities. However, hexose malic acid coffee rind as potential inhibitors of the papain-like SARSCOV2 not reported. This study investigated PLPro inhibitor agents inhibiting ubiquitination. In silico s...

Brazilein is one of the secondary sappan wood metabolites which can be used empirically as an antivirus. The SARS-CoV-2 spike (S) glycoproteins play significant roles in attaching and entering virus into host cell. This study aims to predict antiviral activity pharmacokinetic properties brazilein against in-silico S with vitamin C reference compound. Molegro Virtual Docker 5.5 was by docking pr...

Literature shows that various molecular cascades are activated by stress, UV rays and pollutants leading to wrinkle formation of the skin. These cascades start from five types of receptors (EGFR, PDGFR, PAFR, IL1R, TNFRB) and terminate with the production of matrix metalloproteinase's, which degrades collagen leading to wrinkle formation. Signaling pathway leading to wrinkle formation showed th...

The leukotrienes constitute a group of arachidonic acid-derived compounds with biologic activities suggesting important roles in inflammation and immediate hypersensitivity. Epidermis-type lipoxygenase-3 (ALOXE3), a distinct subclass within the multigene family of mammalian lipoxygenases, is a novel isoenzyme involved in the metabolism of leukotrienes and plays a very important role in skin bar...

Salmonella enteric serovar Typhi Ty2 is a human specific pathogen and an etiological agent for typhoid fever. Most of Salmonella serotypes produce glycogen which has a comparatively minor role in virulence and colonization, but has a more significant role in survival. Enzymes present in glycolytic pathway of bacteria help bacteria to survive by activating other factors inside host. Numerous pat...

BACKGROUND Mutations in pncA and gyrA genes cause pyrazinamide (PZA) and fluroquinolone resistance in Mycobacterium tuberculosis (MTB). In the present study, structures of pyrazinamidase (PZase) and DNA gyrase proteins were studied in resistant and susceptible clinical isolates of MTB. MATERIALS AND METHODS Sixty clinical isolates of MTB were used in this study. Polymerase chain reaction (PCR...

Biji buah kebiul (Caesalpinia bonduc L. Roxb) memiliki kandungan senyawa caesalpinianone, 6-O-caesalpinianone, 2-O-β-δ-glucosyloxy-4-methoxy benzene propanoic acid, ethacrynic bonducellin, dan flavonol. Senyawa ini diketahui berpotensi sebagai antioksidan dapat dimanfaatkan antiaging. Data menunjukkan belum ada kajian terkait yang menghambat kinerja enzim elastase, sehingga pada penelitian akan...