Molecular Docking Studies of Rifampicin - rpoB complex: Repurposing Drug Design Implications for against Plasmodium falciparum Malaria through a Computational Approach.

Malaria is one of the world's most devastating diseases, infecting well over 300 million people annually and killing between 2 and 3 million worldwide. Increasing parasite resistance to many existing drugs is exacerbating disease. Resistance to commonly used malarial drugs is increasing the need to develop new drugs urgently. Due to the slow pace and substantial costs of new drug development, repurposing of old drugs which is recently increasingly becoming an attractive proposition of highly efficient and effective way of drug discovery led us to study the drug rifampicin for this purpose. The present paper aims to investigate the route of Plasmodium falciparum apicoplast-targeted proteins that putatively encode ß subunits of RNA polymerase with an objective to develop an effective antimalarial drug. Homology searching for conserved binding site to the rifampicin drug and the functional analysis of rpoB gene were done. Multiple Sequence alignment analysis of rpoB was compared with that in E.coli - rpoB and M. tuberculosis - rpoB. Docking studies of Rifampicin - rpoB complex was also done for finding binding affinity. The results of computational studies showed that rifampicin is a potential drug for malaria.

Highly Efficient Flower-Like Graphene Quantum Dots-Based Fuschin Photocatalyst for Selective NAD(P)H Cofactor Regeneration Under Solar Light Irradiation.

To meet the energy demands artificial photosynthesis is playing the most promising role these days. Using sunlight directly in a manner that can provide useful chemicals is a sustainable means of generating energy. Studies are going on in this context to make better and effective photocatalyst. In this paper, we study the synthesis of flower-like graphene quantum dots-based fuschin (GQDF) photocatalyst from lemon, which is created by a green and sustainable process that is effective and environment friendly. The UV-visible spectra of prepared GQDF showed a high molar extinction coefficient. A flower-like GQDF photocatalyst has better catalytic efficiency for the selective creation and regeneration of the NAD(P)H cofactor. A newly designed flower-like GQDF photocatalyst is used as one of its most effective photocatalysts as they have several additional applications in the removal of CO2 and aqueous contaminants like heavy metals.

Modelling and optimization of process parameters for production of desiccated Chhana-murki (Indian cottage cheese-based dessert).

In the present study, process parameters were optimized for the production of desiccated chhana-murki (Indian cottage cheese-based dessert). Response Surface Methodology (RSM) was employed to explore the mutual effects of coagulation temperature (CT) of milk (70-90 °C), % fat level in milk (3.5%-5.5%), and sugar-to-paneer cube (SP) ratio (0.6-0.9) on instrumental hardness (N), water activity (aw), yield (%), sensory sweetness and overall acceptability (on 100-point intensity scale) of chhana-murki. The resulted responses were evaluated by analysis of variance (ANOVA), and the second-order polynomial response surface equations were fitted using multiple regression analysis. Determination coefficients (R 2) were equal to 80% or higher for individual responses stated that the developed models were well fitted to the experimental results. The optimized product was prepared using CT 79.22 °C, milk fat 4.8%, and SP ratio 0.7. Confirmatory experiment values for instrument hardness, water activity (aw), yield (%), sensory sweetness and overall acceptability were 105.05 N, 0.85, 115.2%, 61.2 and 78.8, respectively.

Synthesis and in Vitro Cytotoxicity Evaluation of Phenanthrene Linked 2,4- Thiazolidinediones as Potential Anticancer Agents.

OBJECTIVE: To synthesize a series of phenanthrene-thiazolidinedione hybrids and explore their cytotoxic potential against human cancer cell lines of A-549 (lung cancer), HCT-116 and HT-29 (colon cancer), MDA MB-231 (triple-negative breast cancer), BT-474 (breast cancer) and (mouse melanoma) B16F10 cells. METHODS: A new series of phenanthrene-thiazolidinedione hybrids was synthesized via Knoevenagel condensation of phenanthrene-9-carbaldehyde and N-alkylated thiazolidinediones. The cytotoxicity (IC50) of the synthesized compounds was determined by MTT assay. Apoptotic assays like (AO/EB) and DAPI staining, cell cycle analysis, JC-1 staining and Annexin V binding assay studies were performed for the most active compound (Z)- 3-(4-bromobenzyl)-5-((2,3,6,7-tetramethoxyphenanthren-9-yl)methylene)thiazolidine-2,4-dione (17b). Molecular docking, dynamics and evaluation of pharmacokinetic (ADME/T) properties were also carried out by using Schrödinger. RESULTS AND DISCUSSION: From the series of tested compounds, 17b unveiled promising cytotoxic action with an IC50 value of 0.985±0.02µM on HCT-116 human colon cancer cells. The treatment of HCT-116 cells with 17b demonstrated distinctive apoptotic morphology like shrinkage of cells, horseshoe-shaped nuclei formation and chromatin condensation. The flow-cytometry analysis revealed the G0/G1 phase cell cycle arrest in a dosedependent fashion. The AO/EB, DAPI, DCFDA, Annexin-V and JC-1 staining studies were performed in order to determine the effect of the compound on cell viability. Computational studies were performed by using Schrödinger to determine the stability of the ligand with the DNA. CONCLUSION: The current study provides an insight into developing a series of phenanthrene thiazolidinedione derivatives as potential DNA interactive agents which might aid in colon cancer therapy.

Evaluation of quality changes in nutritionally enriched extruded snacks during storage.

The aim of this study was to evaluate changes in the physical, chemical and sensory properties of a low fat-high protein, fiber enriched extruded snack. It was packed in metalized polypropylene/polyethylene (PP/PE) laminate pouches, under modified atmosphere packaging (MAP) with nitrogen flushing and without nitrogen flushing (control) and stored for a period of 22 weeks at 37 ± 1 °C and 80% RH. MAP had significant impact on the moisture content, aw, TBA value, Hunter L* value and crispiness of the extruded snacks during storage. The moisture content of the snack significantly increased from 3.68 to 5.16% in control and from 3.66 to 4.31% in MAP. The oxidative rancidity in terms of TBA value of control sample increased from 0.02 to 0.07 while the product packaged under MAP, the value increased to 0.056. The sensory scores for flavour, color and appearance, texture and overall acceptability (OA) of the product significantly decreased during storage, but the product stored under MAP had better flavor (6.51) and OA scores (6.85) compared to control (5.58 and 6.04, respectively), after 22 weeks of storage. Thus, MAP tended to retard the storage induced changes and it could suitably be utilized for the delivery of low fat-high protein, fiber enriched extruded snacks to the consumer, while keeping the sensorial acceptance of the product for 5 months.

Physico-chemical, hydration, cooking, textural and pasting properties of different adzuki bean (Vigna angularis) accessions.

Physico-chemical, hydration, cooking, textural and pasting properties of thirteen adzuki bean (Vigna angularis) accessions were studied. Protein and ash content ranged from 18.82 to 24.52% and 2.02 to 7.03%, respectively. Bulk density and seed weight of the adzuki seed ranged from 0.76 to 1.00 g/mL and 74.87 to 148.20 g/1000 seeds, respectively. Hydration capacity, swelling capacity and cooking time ranged from 0.05 to 0.12 g/seed, 0.04 to 0.15 mL/seed and 48.67 to 74.33 min, respectively. Different accessions showed significant variations in their physicochemical, cooking, hydration and texture properties. Swelling capacity showed significantly positive correlation with L* value. Hardness of soaked grain varied ranged between 68.67 and 120.25 N and had significant positive correlation with gumminess and chewiness. The springiness and chewiness of cooked seeds showed highly significant positive correlation. Peak viscosity, breakdown viscosity, final viscosity, setback viscosity and pasting temperature of adzuki bean flour ranged from 1979 to 2373 cP, 45 to 183 cP, 2954 to 4004 cP, 931 to 1666 cP and 75.02 to 78.27 °C, respectively. Peak viscosity and breakdown viscosity were negatively correlated to amylose content while setback viscosity showed positive correlation.

Vanadium-Catalyzed Oxidative C(CO)-C(CO) Bond Cleavage for C-N Bond Formation: One-Pot Domino Transformation of 1,2-Diketones and Amidines into Imides and Amides.

A novel vanadium-catalyzed one-pot domino reaction of 1,2-diketones with amidines has been identified that enables their transformation into imides and amides. The reaction proceeds by dual acylation of amidines via oxidative C(CO)-C(CO) bond cleavage of 1,2-diketones to afford N,N'-diaroyl-N-arylbenzamidine intermediates. In the reaction, these intermediates are easily hydrolyzed into imides and amides through vanadium catalysis. This method provides a practical, simple, and mild synthetic approach to access a variety of imides as well as amides in high yields. Moreover, one-step construction of imide and amide bonds with a long-chain alkyl group is an attractive feature of this protocol.