Acinetobacter baumannii is a highly antimicrobial resistant nosocomial pathogen. Resistance to currently used antibiotics has limited effective drugs against this bacterium. This study aimed propose rational inhibitor design the LpxA protein of A. using virtual screening method based on similar structure ligands. In study, we targeted protein, which involved in early stage LPS biosynthesis. nex...

Bioinformatic pipelines often use large numbers of components Motivation and deploying them incurs substantial configuration and maintenance burden that remains a significant barrier to reproducible research. Our aim is to define a new paradigm and best practices for developing, distributing and running pipelines encapsulated in Docker containers (lightweight virtualization), with a focus on ne...

Over the last few years, the use of virtualization technologies has increased dramatically. This makes the demand for efficient and secure virtualization solutions become more obvious. Container-based virtualization and hypervisor-based virtualization are two main types of virtualization technologies that have emerged to the market. Of these two classes, container-based virtualization is able t...

Tyrosinase enzyme is an that plays important role in melanin synthesis. This will oxidize the amino acid L-tyrosine into L- 3,4 dihydroxyphenylalanine (L-DOPA) and convert L-DOPA DOPAquinone. protein from Bacillus megaterium complex with inhibitor kojic target interact ligand (Drug Candidate), Temulawak (Curcuma xanthorrhiza) one of medicinal plants Zingiberaceae family which widely grown used ...

Abstract Background The sixteen (16) designed data set of substituted aryl amine-based triazolopyrimidine were docked against Plasmodium falciparum dihydroorotate dehydrogenase (PfDHODH) employing Molegro Virtual Docker (MVD) software and their pharmacokinetic property determined through SwissADME predictor. Results docking studies shows compound D16, 5-((6-methoxy-5-methyl-[1,2,4]triazolo[1,5-...

The Plasmodium falciparum lactate dehydrogenase enzyme (PfLDH) has been considered as a potential molecular target for antimalarials due to this parasite's dependence on glycolysis for energy production. Because the LDH enzymes found in P. vivax, P. malariae and P. ovale (pLDH) all exhibit ∼90% identity to PfLDH, it would be desirable to have new anti-pLDH drugs, particularly ones that are effe...

These days everything is shifting to cloud computing. Two of the major types of clouds are infrastructure as a service (IAAS) & Platform as a service (PAAS) cloud. Network engineers and administrators make use of IAAS instead of physical hardware for implementing servers. Software Developers use PAAS for programming purposes. Virtualization is the main base for implementing cloud computing. The...

Heliannuols are sesquiterpenes lactone compounds considered to have anticancer activity on the brain cancer. Cancer cell growth is related overexpression of Vascular Endothelial Growth Factor Receptor-2 (VEGFR-2) as a pro-angiogenic pathway, which becomes main factor angiogenesis and progression. This research aims predict anti-angiogenic, toxicity, physicochemical properties heliannuols. Physi...

Variations in High Performance Computing (HPC) system software configurations mean that applications are typically configured and built for specific HPC environments. Building applications can require a significant investment of time and effort for application users and requires application users to have additional technical knowledge. Container technologies like Docker bring great benefits to ...