DESIGN, SYNTHESIS, AND DOCKING OF SULFADIAZINE SCHIFF BASE SCAFFOLD FOR THEIR POTENTIAL CLAIM AS INHA ENOYL-(ACYL-CARRIER-PROTEIN) REDUCTASE INHIBITORS

Objective: An effort was made to design and synthesize the series of sulfadiazine building blocks as a targeted candidate for antimycobacterial activity.Method: The synthesized compounds were subjected to preliminary in silico screening study for testing their antimycobacterial action by doing their molecular docking study on bioinformatics software, molecular operating environment 2009.10.Result: The results obtained from this tool showed that there is a best docking affinity score of these target compounds against the enzyme InhA Enoyl-(acyl-carrier-protein) reductase from Mycobacterium tuberculosis (MTB) pathogen, which is one of the key enzymes involved in the type II fatty acid biosynthesis pathway of MTB.Conclusion: Thus, the synthesized sulfadiazine Schiff base derivatives might serve as the best drug candidate for the existence of menacing pathogen MTB.Â

SYNTHESIS, EVALUATION AND DOCKING STUDIES OF NOVEL FORMAZAN DERIVATIVES AS AN ENOYL-ACP REDUCTASE INHIBITORS

Objective: To synthesize, evaluate and performing the docking studies of novel formazan derivatives as enoyl-ACP reductase inhibitors.Materials: In the present investigation, a series of formazans (Ia-d) were synthesized by stirring aryl diazonium salts solution with Schiff's base at 0-5˚C for 2 h. The intermediate azomethine (Schiff base) itself was synthesized by condensation of para aminobenzoic acid with dimethylamino benzaldehyde in presence of a glacial acetic acid as a catalyst. The antimicrobial activity was done for these synthesized compounds by cup plate method. Moreover, the antimicrobial activity was further confirmed by its molecular docking approach study by using Molecular Operating Environment (MOE) 2009.10 software.Results: In the present study all the synthesized compounds (Ia-Id) showed the enhanced zone of inhibition against S. aureus, B. subtilis, E. coli and S. typhi (5±0.12 to 12±0.45) whereas, the antifungal activity against A. niger and C. albicans were showed the zone of inhibition in the range of 9±0.51 to 12±0.43 when compared to that of the standard drug.Further the docking study reveals that, only three of the formazan compounds under observation (Ia, Ib and Ic) have higher binding affinity with the receptors enzymes enoyl-ACP reductase, which is in the narrow range of binding energy for the protein PDB: 1C14 is-24.4598 to-23.9377 kcal/mol, which shows the further confirmation of these formazan compounds as better microbial inhibitor.Conclusion: Therefore our present report shows that formazans could be the potential drug candidate that inhibits the microbial activity by interacting and inhibiting the enoyl-ACP reductase enzyme which is confirmed by its both in vitro antimicrobial study and as well as from its docking study

Fungal associations in gametophytes and young sporophytic roots of the fern Nephrolepis exaltata

Information is limited on the presence of endophytic fungal associations in green gametophytes and young sporophytes of extant ferns. Nothing is known about their presence in Polypodiales, the largest order among extant ferns. We screened chlorophyllous gametophytes and young sporophytes of Nephrolepis exaltata (L.) Schott., (Lomariopsidaceae, Polypodiales) growing naturally on soil, brick and coir for the presence of fungal endophytes. Gametophytes and young sporophytes growing on different substrates were invariably colonized by septate endophytic fungi. Hyaline or brown, regularly septate, inter- or intracellular hyphae with moniliform cells or microsclerotia characterized septate endophytic fungi. However, only the roots of young sporophytes growing on soil and bricks harboured arbuscular mycorrhizal (AM) fungi. The AM morphology conformed to the intermediate type with intracellular hyphal coils, arbusculate coils and intercellular hyphae. No AM fungal spores could be retrieved from the soil on which gametophytes and young sporophytes were growing. The observations in this study support the idea that the septate fungal endophytes could confer an ecological advantage on colonized individuals, especially on nutrient deficient substrates

SYNTHESIS, BIOLOGICAL EVALUATION, AND DOCKING STUDY OF NOVEL 2-PHENYL-1- BENZOPYRAN-4-ONE DERIVATIVES - AS A POTENT CYCLOOXYGENASE-2 INHIBITOR

Objective: The inflammation and oxidative stress were related together in the generation of reactive oxygen species, which is responsible for the enhancement of inflammation associated with various chronic diseases. Methods: The aim of this study is to synthezise and characterizes the flavones (2-phenyl-1-benzopyran-4-one) derivatives and analyzed by their docking hypothetical data as an effective anti-inflammatory mediator against cyclooxygenase-2 (COX-2) enzyme. Further, the evaluation of various in vitro antioxidant and anti-inflammatory studies was carried out. Results: The 10 compounds were synthesized and characterized by ultraviolet, infrared, nuclear magnetic resonance, and mass spectroscopic techniques. The docking data results of these 10 flavones derivatives against COX-2 enzymes (Protein Data Bank ID: 3LN1) showed the binding energy ranging between −5.53 kcal/mol and −7.02 kcal/mol when compared with that of the standard diclofenac (−6.34 kcal/mol). The in vitro studies suggest that the lipophilic character of the side chain donor, along with the hydroxyl substituted flavones found to have significant half maximal inhibitory concentration values. Conclusion: Based on these in silico and in vitro evaluation results, these synthesized compounds could act as a promising inhibitor to target the COX- 2 enzyme. Hence, those compounds were effective in the management of chronic diseases by exhibits free radical scavenging and anti-inflammatory property

Serious games in nursing education: A Systematic Review

Bachelor'sBACHELOR OF SCIENCE (NURSING)(HONOURS

Synthesis, antiinflammatory evaluation and docking analysis of some novel 1,3,4-oxadiazole derivatives

607-616In the present study, novel series of 5-{[4-(acetylamino) phenoxy] methyl}-1,3,4-oxadiazole-2-yl-sulfanyl-N-substituted-2-acetamide/2-propanamide/3-propanamide derivatives (8a to 8c, 9a to 9c and 10a to 10c) have been synthesized.The newly synthesized compounds have been tested for their anti-inflammatory and anti-ulcerogenic activities in vivo.Among the present series the compound 8c is found to be most active against inflammation with inhibition of 65.34% andhas been observed to be safe ulcerogenically. It is observed that introduction of an asymmetric centre near the sulfur atomdecreases the activity. Molecular docking simulations have been carried out for the compounds. Structures from all theseries fit into the active site of cyclooxygenase-2 enzyme with least binding energies and exhibit favorable bindinginteractions required for the selective inhibition of cyclooxygenase- 2

Synthesis, antiinflammatory evaluation and docking analysis of some novel 1,3,4-oxadiazole derivatives

In the present study, novel series of 5-{[4-(acetylamino) phenoxy] methyl}-1,3,4-oxadiazole-2-yl-sulfanyl-N-substituted-2-acetamide/2-propanamide/3-propanamide derivatives (8a to 8c, 9a to 9c and 10a to 10c) have been synthesized. The newly synthesized compounds have been tested for their anti-inflammatory and anti-ulcerogenic activities in vivo. Among the present series the compound 8c is found to be most active against inflammation with inhibition of 65.34% and has been observed to be safe ulcerogenically. It is observed that introduction of an asymmetric centre near the sulfur atom decreases the activity. Molecular docking simulations have been carried out for the compounds. Structures from all the series fit into the active site of cyclooxygenase-2 enzyme with least binding energies and exhibit favorable binding interactions required for the selective inhibition of cyclooxygenase- 2

Study of Effect of Linear Tip Relief Modification in Power Transmission Efficiency of Spur Gears

This paper explores the influence of linear gear tip relief modification on power transmission efficiency. In real time applications gears experience transmission error (TE) during operation which increases noise and vibration and also results in increased tooth profile deformation during operation of the gear. By providing tip relief profile modification this TE can be decreased. Using MATLAB for computation and ANSYS for the simulation of deformation, stress, strain, life, and factor of safety results for the gear assemblies are obtained. Deformation results are used for the computation change in power transmission efficiency followed by the modal and harmonic analysis of the gears and gear assemblies to determine change in the first mode of natural frequency