Culex quinquefasciatus is a major threat faced by people in India. The nematode worm, Wuchereria bancrofti causes Lymphatic filariasis which transmitted acting as vector. aim of the present Insilico research work to validate how malic acid interacts with protein mosquito species, using Bioinformatic tools. target molecule Cytochrome b mitochondrion species. structure Malic retrieved from genera...

Ranti Hitam known as local name of ( Solanum blumei Nees ex Blume) found in the Dairi, Sumatera Utara, Indonesia. It is used by community traditional medicine which contains various phytochemical constituent steroidal alkaloids β2-solanin, diosgenin, flavonoids, saponins and tannins. The purpose study was to investigate anticholesterol activity ethanol extract vivo insilico methods. A number 15...

Over the years a massive amount of high-throughput screening (HTS) data has been collected, however, the data are mainly utilized for providing lead generation programs with chemical entry points. The comparison of molecular structures and HTS data across many projects allows to identify and validate structural patterns of frequent hitters, i.e. compounds which generate multiple hits in various...

Computational reconstruction of gene regulatory networks (GRNs) from gene expression data is of great importance in systems biology. Dialogue for Reverse Engineering Assessments and Methods (DREAM) challenge aims to evaluate the success of computational GRN inference algorithm on benchmarks of simulated data. Tree-based methods, such as Random Forest, infer true regulators of a target gene in a...

Kinase Suppressor of Ras (KSR) is a molecular scaffold that interacts with the core kinase components of the ERK cascade, Raf, MEK, ERK to provide spatial and temporal regulation of Ras-dependent ERK cascade signaling. Interruption of this mechanism can have a high influence in inhibiting the downstream signaling of the mutated tyrosine kinase receptor kinase upon ligand binding. Still none of ...

Non-nucleoside reverse transcriptase inhibitors (NNRTIs) have, in addition to the nucleoside reverse transcriptase inhibitors (NRTIs) and protease inhibitors (PIs), gained a definitive place in the treatment of HIV-1 infections. The present work deals with computational ligand docking methodology, AutoDock 4.0, based on Lamarckian genetic algorithm for virtual screens of a compound database of ...