359 research outputs found
PERCEIVED SOCIAL SUPPORT AMONG ELDERLY INDIVIDUALS RESIDING IN URBAN BENGALURU: A CROSS-SECTIONAL STUDY
Introduction
Increase in life expectancy results in an increasing elderly population which contributes to 9.3% of global population. With epidemiological transition of diseases, the burden of chronic morbidity conditions will also increase with an effect on Quality of life, which demands social support especially among elderly individuals. Hence the present study was taken up to assess social support among elderly individuals residing in urban field practice area of Bangalore Medical College & Research Institute (BMCRI), Bengaluru.
Objective: To assess the perceived social support among elderly population residing in the urban field practice area of BMCRI
Methodology:
A cross sectional study was conducted to assess the perceived social support among 100 elderly population residing in the urban field practice area of BMCRI. Simple random sampling technique was used. Data was collected using validated Multidimensional Scale of Perceived Social Support (MSPSS) questionnaire along with socio-demographic factors.
Results: In this study, the mean age of the elderly individuals was 67.0 + 5.90 years, total social support score was 59.2 + 17.97. Perceived social support was found to be statistically significant found between characteristics gender, educational status, marital status, earning status, marital status, earning status, support obtained for medication and previous hospitalization. (p<0.05
Design, crystal structure determination, molecular dynamic simulation and MMGBSA calculations of novel p38-alpha MAPK inhibitors for combating Alzheimer's disease
The hallmark of the Alzheimer's disease (AD) is the accumulation of aggregated, misfolded proteins. The cause for this accumulation is increased production of misfolded proteins and impaired clearance of them. Amyloid aggregation and tau hyperphosphorylation are the two proteinopathies which accomplish deprivation of cell and tissue hemostasis during neuropathological process of the AD, as a result of which progressive neuronal degeneration and the loss of cognitive functions. p38 mitogen-activated protein kinase (p38 MAPK) has been implicated in both the events associated with AD: tau protein phosphorylation and inflammation. p38 alpha MAPK pathway is activated by a dual phosphorylation at Thr180 and Tyr182 residues. Clinical and preclinical evidence implicates the stress related kinase p38 alpha MAPK as a potential neurotherapeutic target. Drug design of p38 alpha MAPK inhibitors is mainly focused on small molecules that compete for Adenosine triphosphate in the catalytic site. Here we have carried out the synthesis of phenyl sulfonamide derivatives Sulfo (I) and Sulfo (II). Crystal structures of Sulfo (I) and Sulfo (II) were solved by direct methods using SHELXS-97. Sulfo (I) and Sulfo (II) have R(int)values of 0.0283 and 0.0660, respectively, indicating good quality of crystals and investigated their ability against p38 alpha MAPK. Docking studies revealed that the Sulfo (I) had better binding affinity (-62.24 kcal/mol) as compared to Sulfo (II) and cocrystal having binding affinity of -54.61 kcal/mol and -59.84 kcal/mol, respectively. Molecular dynamics simulation studies of Sulfo (I) and cocrystal of p38 alpha MAPK suggest that during the course of 30 ns simulation run, compound Sulfo (I) attained stability, substantiating the consistency of its binding to p38 alpha MAPK compared to cocrystal. Binding free energy analysis suggests that the compound Sulfo (I) is better than the cocrystal. Thus, this study corroborates the therapeutic potential of synthesized Sulfo (I) in combatting AD
Crystal and Molecular Docking Studies of 3-[ Bis-(2-Hydroxy-4,4-Dimethyl-6-Oxo-Cyclohex-1-Enyl)-Methyl]Benzonitrilewith Focal Adhesion Kinase Inhibitors
In the present study crystal structure of 3-[Bis-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-methyl]benzonitrile was determined using single crystal X-ray diffraction. Further the structural features was extrapolated to molecular docking studies with focal adhesion kinase (FAK) domain using Autodock to study its anticancerous property. The compound exhibited considerable bacterial inhibition of lower to moderate concentrations. We conclude that these derivatives can be used in medicine and have enormous potential as pharmaceutical agents due to their biological activities. The above titled receptor gain functional and structural insights into their mechanism of inhibition and explore its potential as an anticancer agent
Crystal and molecular docking studies of 3-[Bis-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-methyl]benzonitrile with focal adhesion kinase inhibitors
In the present study crystal structure of 3-[Bis-(2-hydroxy-4,4-dimethyl-6-oxo-cyclohex-1-enyl)-methyl]benzonitrile was detd. using single crystal X-ray diffraction. Further the structural features was extrapolated to mol. docking studies with focal adhesion kinase (FAK) domain using Autodock to study its anticancerous property. The compd. exhibited considerable bacterial inhibition of lower to moderate concns. We conclude that these derivs. can be used in medicine and have enormous potential as pharmaceutical agents due to their biol. activities. The above titled receptor gain functional and structural insights into their mechanism of inhibition and explore its potential as an anticancer agent
Synthesis, structural characterization and biological properties of cyclometalated iridium(iii) complexes containing 1,2,5]-thiadiazolo-3,4-f]-1,10]-phenanthroline
Two cationic iridium(iii) complexes, Ir(ppy)(2)((tdzp))](+)(1) and Ir(bhq)(2)((tdzp))](+)(2) {ppy = 2-phenylpyridine, bhq = benzoh]quinoline, tdzp = 1,2,5]-thiadiazolo-3,4-f]-1,10]-phenanthroline}, have been synthesized and structurally characterized. The molecular structures of the iridium complexes have been confirmed by single-crystal X-ray structure determination. Extensive hydrogen bonding between lattice water molecules, solvated methanol, and chloride anions is observed in the crystal structure of complex1, which leads to the formation of 1D polymeric cyclic hybrid water-chloride-methanol clusters. The complexes show different photophysical properties in different solvents. The experimental photo-physical properties of the synthesized iridium(iii) complexes match well with the theoretically calculated results obtained by density functional theory (DFT) and time-dependent density functional theory (TD-DFT) studies. The HOMO of complexes1and2is restricted on the iridium and cyclometalated aromatic ligands, while the LUMO, LUMO+1, and LUMO+2 are primarily restricted on the polypyridyl tdzp ligand. The interaction of the complexes with calf thymus DNA (CT-DNA) was investigated by absorption titration and emission titration experiments. Furthermore, the cytotoxicity and cellular localization properties of these complexes towards HeLa cells have been investigated
Investigation of the crystal structures of n-(4-fluorobenzoyl) benzenesulfonamide and n-(4-fluoro-benzoyl)-4-methylbenzenesulfonamide
The title compound, C26H26N2O7, is a thiamidine derivative. Geometric parameters are in the usual ranges. The crystal packing is stabilized by a classical N—H⋯O hydrogen bond, several weak C—H⋯O hydrogen bonds and a π–π stacking interaction
A fluorophore-labelled copper complex: crystal structure, hybrid cyclic water–perchlorate cluster and biological properties
A fluorophore-labelled copper(II) complex, aquabis(dimethylformamide-O)-(perchlorato-O)[2-(quinolin-2-yl)-1,3-oxazolo[4,5-f][1,10]phenanthroline]cop-per(II) perchlorate monohydrate, [Cu(ClO4)(C22H12N4O)(C3H7NO)2(H2O)]-ClO4H2O, has been synthesized and characterized. A cyclic hydrogen-bondedwater–perchlorate anionic cluster,i.e.[(ClO4)2(H2O)2]2, has been identifiedwithin the structure. Each cyclic anionic cluster unit is interconnected byhydrogen bonding to the cation. The cations join into an infinite hydrogen-bonded chain running in the [010] direction. Furthermore, interaction of thecomplex with calf-thymus DNA (CT-DNA) and cellular localization within thecells was explored. Spectroscopic studies indicate that the compound has a goodaffinity for DNA and stains the nucleus of the cells
Three closely related (2E,200E)-3,300-(1,4-phenylene)- bis[1-(methoxyphenyl)prop-2-en-1-ones]: supramolecular assemblies in one dimension mediated by hydrogen bonding and C—Hp interactions
In the title compounds, (2E,20E)-3,30-(1,4-phenylene)bis[1-(2-methoxyphenyl)-
prop-2-en-1-one], C26H22O4 (I), (2E,20E)-3,30-(1,4-phenylene)bis[1-(3-methoxyphenyl)
prop-2-en-1-one], C26H22O4 (II) and (2E,20E)-3,30-(1,4-phenylene)bis[1-
(3,4-dimethoxyphenyl)prop-2-en-1-one], C28H26O6 (III), the asymmetric unit
consists of a half-molecule, completed by crystallographic inversion symmetry.
The dihedral angles between the central and terminal benzene rings are
56.98 (8), 7.74 (7) and 7.73 (7) for (I), (II) and (III), respectively. In the crystal
of (I), molecules are linked by pairs of C—H interactions into chains
running parallel to [101]. The packing for (II) and (III), features inversion
dimers linked by pairs of C—HO hydrogen bonds, forming R2
2(16) and R2
2(14)
ring motifs, respectively, as parts of [201] and [101] chains, respectively
- …