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21 results for “Protein-Protein Docking”
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Research ArticleOpen accessIn the abstractMolecular Docking of New Active Compounds Towards the Acetylcholinesterase EnzymeLemaoui Tarek, Hammoudi Nour El Houda, Benguerba Yacine, Attoui AyoubMolecular docking is a key instrument in structural molecular biology and computer-assisted drug design. The objective of ligand-protein docking is to expect the main binding mode(s) of a ligand with a protein of known three-dimensional structure. Effective docking methods search high-dimensional spaces effectively and finding a scoring function that correctly ranks candidate dockings (Morris et al., 2008). In this study … …Current Research in Bioinformatics, Vol. 8, Issue 1 · 27 Feb 2020 · 11,408 accessesView PDFCite
Research ArticleOpen accessIn the abstractStructure Prediction and Binding Site Analysis of Hepatotoxic Microcystin-LR Degrading MlrC-Like Protein from Burkholderia sp. using Computational ApproachesDhananjaya P. Singh, Ratna Prabha, Vivek Keshri, P.C. AbhilashMicrocystin-LR (MCYST-LR) is a well characterized hepatotoxic heptapeptide produced by various species of cyanobacteria including Microcystis aeruginosa. Burkholderia is a genus of bacteria with cyanobacterial toxins degrading property. This study predicts the structure of microcystin degrading MlrC-like protein from Burkholderia sp. strain CCGE1002 that has microcystin degradation capability. Binding interaction of MlrC-like protein with MCYST-LR was studied. Three-dimensional model of … …Current Research in Bioinformatics, Vol. 5, Issue 1 · 10 Jun 2016 · 8,076 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn Silico Sequence Analysis, Structure Prediction and Function Annotation of Melanocortin 1 Receptor Gene (MC1R) from the Guppy Poecilia reticulataAbdul Khader Sultan Mohideen, Mehboob Asrar Sheriff, Kareem AltaffThe common guppy, Poecilia reticulata is one of the most popular aquarium fish used as a model organism in toxicology, embryology and genetical studies. Vibrant colors in males are a secondary sexual character which attracts the females for mating. Pigmentation in guppy is found to be linked with melanin synthesis. Melanocortin genes are involved in the synthesis of melanin pigments. … …American Journal of Biochemistry and Biotechnology, Vol. 11, Issue 4 · 17 Nov 2015 · 8,615 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn-silico Rational Protein Engineering and Design Approach to Improve Thermostability of a Haloalkane Dehalogenase EnzymeRaghunath Satpathy, V. Badireenath Konkimalla, Jagnyeswar RathaThermostability of enzymes is a major prerequisite for use in industrial enzymology. There are as such no simple general principles for achieving thermostability in case of enzymes as many factors are required to fulfil for different enzymes. The present study describes computational methods to design thermostable haloalkane dehalogenase enzyme using the crystal structure available Protein Data Bank (PDB ID: 1EDE). … …Current Research in Bioinformatics, Vol. 4, Issue 2 · 13 Oct 2015 · 8,285 accessesView PDFCite
Research ArticleOpen accessIn the abstractHOMOLOGY MODELING AND MOLECULAR DYNAMICS STUDIES OF EC1 DOMAIN OF VE-CADHERIN TO ELUCIDATE DOCKING INTERACTION WITH CADHERIN-DERIVED PEPTIDEVivitri Dewi Prasasty, Usman Sumo Friend Tambunan, Teruna Jaya SiahaanVE-cadherin is a protein in the cadherin family that is found at the adherens junctions of the microvessel endothelial cells of the Blood-Brain Barrier (BBB). It is recognized as the homotypic cell adhesion molecules and there is limited structural information on how VE-cadherins mediate cell-cell adhesion. It has been shown that the EC1 domain of cadherins is important for the … …OnLine Journal of Biological Sciences, Vol. 14, Issue 2 · 25 Jun 2014 · 7,534 accessesView PDFCite
Research ArticleOpen accessIn the abstractIn Silico and in Vitro Studies: Tryparedoxin Peroxidase Inhibitor Activity of Methotrexate for Antileishmanial ActivityRavi Kumar Gundampati, Shraddha Sahu, Avinash Kumar Srivastava et al.In order to understand the mechanism of molecular interactions at the active site of Tryparedoxin Peroxidase (Try P), homology modeling and docking studies were performed. We generated a Three-Dimensional (3D) model of target protein based on the Crystal structure of Leishmania Major Try PI (PDB ID: 3TUE) using modeler software. Docking analysis was carried out to study the effects of … …American Journal of Infectious Diseases, Vol. 9, Issue 4 · 28 Nov 2013 · 7,894 accessesView PDFCite
Research ArticleOpen accessIn the abstractIdentification of Pharmacological Targets Combining Docking and Molecular Dynamics SimulationsIlizaliturri-Flores Ian, Rosas-Trigueros Jorge Luis, Carrillo-Vazquez Jonathan Pablo et al.Studies that include both experimental data and computational simulations (in silico) have increased in number because the techniques are complementary. In silico methodologies are currently an essential component of drug design; moreover, identification and optimization of the best ligand based on the structures of biomolecules are common scientific challenges. Geometric structural properties of biomolecules explain their behavior and interactions and … …American Journal of Agricultural and Biological Sciences, Vol. 8, Issue 1 · 21 Mar 2013 · 8,130 accessesView PDFCite
Research ArticleOpen accessIn the abstractIN SILICO DESIGN OF THE M2 PROTON CHANNEL INHIBITORS OF H1N1 VIRUSUsman Sumo Friend Tambunan, Mochamad Reza Rahdiansyah, Arli Aditya ParikesitM2 proton channel of H1N1 Influenza A virus is the target protein anti-flu drugs amantadine and rimantadine. However, the two once powerful adamantane-based drugs lost their 90% bioactivity because of mutations of virus in recent twenty years. The resistance of influenza A virus to amantadine need to develop more effective adamantane-based drugs. Several research by molecular docking method have been … …OnLine Journal of Biological Sciences, Vol. 13, Issue 1 · 5 Jan 2013 · 8,002 accessesView PDFCite
Research ArticleOpen accessIn the abstractUse of Enterobacterial Repetitive Intergenic Consensus PCR in Detecting Target(s) of Hapalindole-T, From a Cyanobacterium, in Escherichia Coli: In Silico ValidationManoj K. Tripathi, Maheep Kumar, Vinay K. Singh et al.Problem statement: Identification of newer biomolecule as well as targets are a rising concern because of increasing drug resistance in bacteria. We have isolated a broad spectrum antibiotic biomolecule Hapalindole-T from a cyanobacterium, Fisherella sp. growing on local Azadirachta indica tree bark. A model bacterium E. coli was screened spontaneously for Hap-T resistance. These resistant strains of E. coli were … …Current Research in Bioinformatics, Vol. 1, Issue 1 · 3 Mar 2012 · 13,780 accessesView PDFCite
Research ArticleOpen accessIn the abstractSolving Protein Folding Problem using Elitism-Based Compact Genetic AlgorithmAmr Badr, Ibtehal M. Aref, Basma M. Hussien, Yosr EmanProteins are vital components of living cells. A number of diseases such as Alzheimer's, Cystic fibrosis and Mad Cow diseases are shown to result from misfunctioning of proteins. Problem statement: Protein folding problem is the process of predicting the optimal 3D molecular structure of a protein, or tertiary structure, which is an indication of its proper function. Approach: An enhancement … …Journal of Computer Science, Vol. 4, Issue 7 · 31 Jul 2008 · 6,861 accessesView PDFCite