Protein structure validation

Ebook "Chemokines: Chemokines and their receptors in drug discovery" covers all relevant aspects of drug research, e.g. pathobiochemistry of diseases, identification and validation of (emerging) drug targets, structural biology, drugability of targets, drug design approaches, chemogenomics, synthetic chemistry including combinatorial methods, bioorganic chemistry, natural compounds, high-throughput screening, pharmacological in vitro and in vivo investigations, drug-receptor interactions on the molecular level,...

248p tudohanhtau1006 29-03-2024 1 1   Download

Ebook "Fragment-based drug discovery and X-ray crystallography (Topics in current chemistry, Volume 317)" bring together chapters by a number of practitioners in the field, drawn from both the pharmaceutical industry and academia. Our aim has been to highlight the important roles that X-ray crystallography plays in the fragmentapproach: as a sensitive technique for primary screening, its use in combination with other biophysical techniques to allow robust hit validation, and its importance in providing structural information to guide progression from hit to clinical candidate.

235p manmanthanhla0201 26-02-2024 6 1   Download

Master's thesis of Science "Investigation into the modulation of circadian clock proteins by dietary compounds and small molecules" is structured as follows: Chapter 1 Introduction; Chapter 2 Identification of novel bioactive compounds from Olea europaea by evaluation of chemical compounds in the OliveNetTM library: in silico bioactivity and molecular modelling, and in vitro validation of hERG activity; Chapter 3 Modulation of circadian core clock proteins by dietary compounds; Chapter 4 Molecular mechanisms of action of selected olive phenolics against epigenetic modifiers and the structur...

235p runthenight04 02-02-2023 2 2   Download

Plant oils are very important for domestic and industrial use. Biodiesel can be obtained from plant seed oil. Biodiesel is currently popular and in demand due to the high cost of petroleum and to avoid pollution. It is time to increase plant seed oil production and conduct research to find ways of enhancing its production. We studied two species of oil seed plants, i.e. Ricinus communis and Glycine max, with varying amounts of oil content. Proteins from six categories of enzymes involved in fatty acid biosynthesis were selected for study.

26p tudichquannguyet 29-11-2021 9 1   Download

Conformers generally deviate structurally from their starting X-ray crystal structures early in molecular dynamics (MD) simulations. Studies have recognized such structural differences and attempted to provide an explanation for and justify the necessity of MD equilibrations. However, a detailed explanation based on fundamental physics and validation on a large ensemble of protein structures is still missing. Here we provide the first thermodynamic insights into the radically different thermodynamic conditions of crystallization solutions and conventional MD simulations.

15p tudichquannguyet 29-11-2021 11 1   Download

Protein crystal structures are potentially over-interpreted since they are routinely refined without any restraint on the upper limit of atomic B-factors. Consequently, some of their atoms, undetected in the electron density maps, are allowed to reach extremely large B-factors, even above 100 square Angstroms, and their final positions are purely speculative and not based on any experimental evidence.

9p viconnecticut2711 28-10-2020 13 0   Download

Protein-protein interactions (PPIs) play very important roles in diverse biological processes. Experimentally validated or predicted PPI data have become increasingly available in diverse plant species.

11p viuchiha2711 21-04-2020 8 0   Download

Tomato leaf curl virus disease (ToLCVD) is one of the major causes for highest economical loss of tomato in India. In this study, Natural incidence of ToLCV disease on tomato was observed at Gujarat, India in the March, 2019. The infected plants revealed systemic viral symptoms in the form of sever leaf curling, leaf crumple with marginal yellowing, stem warped and stunted. Molecular methods were followed to further characterized coat protein (CP) gene of tomato leaf curl virus using specified primers.

11p trinhthamhodang3 12-02-2020 13 1   Download

Mung bean is a widely consumed tropical food grain legume and is generally affected by different abiotic stresses. Late Embryogenic Abundant (LEA) proteins help the plants to withstand these stresses by its multi-functional role. In this study, a VrLEA2 gene isolated from mung bean using gene specific primers was sequenced and the in silico analysis of the gene sequence revealed the presence of eight ORF regions. ORF6region showed high similarity to Em like protein of Vigna radiata (L) Wilczek.

8p chauchaungayxua3 07-02-2020 16 1   Download

In this paper we address the problem of extracting features relevant for predicting protein±protein interaction sites from the three-dimensional structures of protein complexes. Our approach is based on information about evolutionary con-servation and surface disposition. We implement a neural network based system, which uses a cross validation proce-dure and allows the correct detection of 73% of the residues involved in protein interactions in a selected database comprising 226 heterodimers.

6p research12 29-04-2013 29 2   Download

The type II fatty acid synthase pathway ofPlasmodium falciparumis a validated unique target for developing novel antimalarials because of its intrinsic differences from the type I pathway operating in humans. b-Ketoacyl-acyl carrier protein reductase is the only enzyme of this pathway that has no isoforms and thus selective inhibitors can be developed for this player of the pathway.

11p inspiron33 25-03-2013 34 2   Download

International Tables for Crystallography, Volume F, Crystal- lography of Biological Macromolecules, was commissioned by the International Union of Crystallography (IUCr) in recognition of the extraordinary contributions that knowledge of macro- molecular structure has made, and will make, to the analysis of biological systems, from enzyme catalysis to the workings of a whole cell.

814p banhkem0908 24-11-2012 59 6   Download

During the past two decades, reductionist biological science has generated new empirical data on the molecular foundations of biological structure and function at an accelerating rate. The list of organisms whose complete genomes have been sequenced is growing by the week. Annotations of these sequences are becoming more comprehensive, and databases of protein structure are growing at impressive, indeed formerly unimaginable rates.

261p beobobeo 01-08-2012 75 11   Download