Insights into the mode of flavin mononucleotide binding and catalytic mechanism of bacterial chromate reductases: A molecular dynamics simulation study.

Enzymes from natural sources protect the environment via complex biological mechanisms, which aid in reductive immobilization of toxic metals including chromium. Nevertheless, progress was being made in elucidating high-resolution crystal structures of reductases and their binding with flavin mononucleotide (FMN) to understand the underlying mechanism of chromate reduction. Therefore, herein, we employed molecular dynamics (MD) simulations, principal component analysis (PCA), and binding free energy calculations to understand the dynamics behavior of these enzymes with FMN.

Possible activation of NRF2 by Vitamin E/Curcumin against altered thyroid hormone induced oxidative stress via NFĸB/AKT/mTOR/KEAP1 signalling in rat heart.

Oxidative stress is implicated in both hypo- and hyper-thyroid conditions. In the present study an attempt has been made to elucidate possible interaction between vitamin E or/and curcumin (two established antioxidants) with active portion (redox signaling intervening region) of nuclear factor erythroid 2-related factor 2 (NRF2) as a mechanism to alleviate oxidative stress in rat heart under altered thyroid states. Fifty Wistar strain rats were divided into two clusters (Cluster A: hypothyroidism; Cluster B: hyperthyroidism).

Bioactivity guided isolation of antidiabetic and antioxidant compound from J. Koenig bark.

The present study was designed to identify antidiabetic and antioxidant constituents from ethanol bark extract of a medicinally important mangrove plant J. Koenig, using in vitro bioactivity-guided fractionation. The repeated fractionation of ethanol bark extract (XGEB) by silica gel column chromatography yielded a compound with strong antidiabetic and antioxidant potential.

Self-Assembly of Polymer-Encased Lipid Nanodiscs and Membrane Protein Reconstitution.

The absence of detergent and curvature makes nanodiscs excellent membrane mimetics. The lack of structural and mechanistic model of polymer-encapsulated lipid nanodiscs limits their use in the study of the structure, dynamics, and functions of membrane proteins. In this study, we parameterized and optimized the coarse-graining (CG) bead mapping for two differently charged and functionalized copolymers, containing styrene-maleic acid (SMAEA) and polymethacrylate (PMAQA), for the Martini force-field framework and showed nanodisc formation (<8 nm diameter) on a time scale of tens of microseconds using molecular dynamics (MD) simulations.

Shade tolerance in Swarnaprabha rice is associated with higher rate of panicle emergence and positively regulated by genes of ethylene and cytokinin pathway.

This study identifies characteristics of seedling, mature plant phenotypes, changes at genetic and genomic level associated with Swarnaprabha (SP) rice grown under prolonged shade and compared with Nagina 22 (N22). Coleoptile length under low red/far-red was intermediate between that in dark and red light in a 7-days growth frame. Whereas, highest rootlet number was discriminating in seedlings grown for 28 days in hydroponics.

"Rapid diagnosis of Cucumber mosaic virus in banana plants using a fluorescence-based real-time isothermal reverse transcription-recombinase polymerase amplification assay".

Cucumber mosaic virus (CMV) is a widespread plant virus infecting important vegetables, plantation and flower crops. Currently, CMV is detected by enzyme-linked immunosorbent assays (ELISA) and reverse transcription-polymerase chain reaction (RT-PCR) assays. ELISA requires polyclonal antibodies and is time-consuming.

Twenty years of the 'Preparation for Oxidative Stress' (POS) theory: Ecophysiological advantages and molecular strategies.

Freezing, dehydration, salinity variations, hypoxia or anoxia are some of the environmental constraints that many organisms must frequently endure. Organisms adapted to these stressors often reduce their metabolic rates to maximize their chances of survival. However, upon recovery of environmental conditions and basal metabolic rates, cells are affected by an oxidative burst that, if uncontrolled, leads to (oxidative) cell damage and eventually death.

Functional diversity and metabolic profile of microbial community of mine soils with different levels of chromium contamination.

Microbial communities provide useful information about any chemical and physical changes in the environment and play an essential role in maintaining soil fertility. Biolog® eco-plates method was used to study the functional diversity of microbial communities, and their correlation with soil organic carbon (OC), microbial biomass and activities, under three different soil conditions of Sukinda chromite mining area of Odisha, India during August 2016. The OC, available nitrogen, available phosphorus and available potash were significantly (< 0.

Structural bioinformatics insights into the CARD-CARD interaction mediated by the mitochondrial antiviral-signaling protein of black carp.

The innate immune system offers the first line of defense against invading microbial pathogens through the recognition of conserved pathogen-associated molecular patterns (PAMPs) by pattern recognition receptors (PRRs). The host innate immune system through PRRs, the sensors for PAMPs, induces the production of cytokines. Among different families of PRRs, the retinoic acid-inducible gene I (RIG-I)-like receptors (RLRs), and its mitochondrial adaptor ie, the mitochondrial antiviral-signaling (MAVS) protein, are crucial for RLR-triggered interferon (IFN) antiviral immunity.

Gamma irradiation protect the developing wheat endosperm from oxidative damage by balancing the trade-off between the defence network and grains quality.

Gamma irradiation has been reported to modulate the biochemical and molecular parameters associated with the tolerance of plant species under biotic/ abiotic stress. Wheat is highly sensitive to heat stress (HS), as evident from the decrease in the quantity and quality of the total grains. Here, we studied the effect of pre-treatment of wheat dry seeds with different doses of gamma irradiation (0.

microRNAs: Epigenetic players in cancer and aging.

MicroRNAs (miRNAs) are endogenous, small non-coding RNA molecules that play important regulatory roles in numerous biological processes, cellular pathways and networks. They do so by targeting specific mRNAs, directly degrading them and/or preventing their translation into proteins. The impaired function of miRNAs results in aberrant gene expression that promotes abnormal cell growth and differentiation.

Development and evaluation of retort pouch processed (cheese based baked sweet).

A study has been undertaken to optimize ingredient proportions for preparation of and the effect of retort processing on its quality and storability. was prepared from cottage cheese with standard practices followed by confectioners using different levels of semolina (0, 50, 100, 150, 200 g) and sugar (0, 100, 200, 300, 400 g) per kg cheese and ingredient proportion was optimized based on sensory scores. Prepared chhenapoda sample of 200 g were packed in pre-fabricated 3 side seal multilayer laminated retortable pouches, hermetically sealed and retort processed at different temperatures (100, 110 and 120 °C) and time intervals (15, 30 and 45 min).

In silico analysis of caprine superoxide dismutase 1 (SOD1) gene.

Climatic change induced heat stress causes a formidable challenge for maintaining optimum productivity in goats. The SOD1 gene (superoxide dismutase 1) is one of the genes that regulates the heat tolerance capacity. This study aimed to in silico characterize this gene.

Setal-epidermal, muscular and enzymatic anomalies induced by certain agrochemicals in the earthworm Eudrilus eugeniae (Kinberg).

Eudrilus eugeniae, the vermicomposing worm, is found in considerable numbers in agricultural fields in India due to their eventual transfer through vermimanure. These worms are very often exposed to pesticides, herbicides, chemical fertilisers and other soil amendments. This paper reports the effects of variable concentrations of urea, phosphogypsum (PG), paper mill sludge (PMS) and two organophosphorus agrochemicals, monocrotophos and glyphosate, on certain morphological, histological and biochemical parameters of E.

Deciphering the ATP-binding mechanism(s) in NLRP-NACHT 3D models using structural bioinformatics approaches.

Nucleotide-binding and oligomerization domain (NOD)-like receptors (NLRs), the first line of defense, are the cytosolic pattern recognition receptors (PRRs) that regulate the inflammatory activity in response to invading pathogens. NLRs are the members of AAA+ ATPase superfamily that comprises of N-terminal EBD(s), a centrally positioned NOD/NACHT and varying range of LRRs towards the C-terminal end. Due to the lack of structural data, the functional aspects of NLRP-signaling mechanism, which includes pathogen recognition, nucleotide-binding, and sensor-adaptor-effector interactions, are not fully understood.

Structural bioinformatics insights into ATP binding mechanism in zebrafish (Danio rerio) cyclin-dependent kinase-like 5 (zCDKL5) protein.

In mammalian systems, the conserved cyclin-dependent protein kinases (CDKs) control the process of cell division and curb the transcription mechanism in response to diverse signaling events that are essential for the catalytic activity. In zebrafish, zCDKL5 portrays differential expression profiling in several tissues and presumed to play a vital role in the neuronal development. In this present study, the sequence-structure relationship and mode of ATP binding in zCDKL5 was unveiled through theoretical modeling, molecular docking, and MD simulations.

In vitro evaluation of adherence and anti-infective property of probiotic Lactobacillus plantarum DM 69 against Salmonella enterica.

Gastrointestinal infections are a global health problem, and the potential use of probiotic Lactobacillus species to control such infections represents a promising approach. To exert the health benefits on the host, studying the colonization and adherence properties of probiotic bacteria in vitro is crucial. In this context, investigation was carried out to evaluate adhesion, aggregation and anti-infective effect of an indigenous probiotic Lactobacillus plantarum DM 69 against an enteric pathogen Salmonella enterica subsp.

Comparative therapeutic efficacy of levofloxacin, ornidazole and alpha tocopherol combination with prostaglandin F2α on and transcript level in longstanding cases of endometritis in crossbreed Jersey cows.

This study compared the therapeutic efficacy of levofloxacin, ornidazole and alpha tocopherol combination and prostaglandin F2α (PGF2α) in longstanding cases of endometritis and evaluated their impact on () and () transcript level in peripheral blood leukocytes. Eighteen endometritic crossbred Jersey cows were randomly allotted to three groups (six in each) Group I (levofloxacin combo treatment I/U), group II (PGF2α treatment I/M), group III (no treatment, control), and group IV (six non-endometritic healthy cyclic) was taken for comparison study. The clinical efficacy was assessed by haematological study (TLC: Total leukocyte count; DC: Differential count), polymorphonuclear leukocytes (PMN) count in uterine cytology and relative mRNA expression of and in peripheral blood leukocytes before and after treatment with respect to conception rate following single and second inseminations.

Drug-in-mucoadhesive type film for ocular anti-inflammatory potential of amlodipine: Effect of sulphobutyl-ether-beta-cyclodextrin on permeation and molecular docking characterization.

Mucoadhesive type ocular film has been prepared for studying the anti-inflammatory potential of amlodipine (AML) on carrageenan-induced rabbit model and the effect of sulphobutyl-ether-beta-cyclodextrin on corneal permeation was tested. Hydroxypropyl methylcellulose (HPMC) ocular film was prepared after complexation of amlodipine with β-cyclodextrin, (BCD), hydroxypropyl β-cyclodextrin (HPCD), and sulfobutylether β-cyclodextrin (SBCD). The film without cyclodextrin showed a maximum swelling, and erosion to the highest extent.

Histological anomalies and alterations in enzyme activities of the earthworm Glyphidrillus tuberosus exposed to high concentrations of phosphogypsum.

Phosphogypsum (PG) is the major solid waste generated by phosphate fertilizer plants and is used worldwide as sulfur and calcium supplement in agricultural soil. Considering the probability of elevated doses of PG during agricultural applications, this study was carried out to assess its impact on the connective tissue, tissue cholinesterase (ChE) activity, lactate dehydrogenase (LDH) activity, and lipid peroxidation (LPX) level of the tropical earthworm Glyphidrillus tuberosus (Stephenson) found in abundance in the rice fields in India. Consistent loss of connective tissue and sloughing of the intestinal epithelium were observed in worms exposed to 10%, 15%, and 20% concentrations of PG in soil over an incubation period of 30 days.

nifPred: Proteome-Wide Identification and Categorization of Nitrogen-Fixation Proteins of Diaztrophs Based on Composition-Transition-Distribution Features Using Support Vector Machine.

As inorganic nitrogen compounds are essential for basic building blocks of life (e.g., nucleotides and amino acids), the role of biological nitrogen-fixation (BNF) is indispensible.

Productivity trade-off with different water regimes and genotypes of rice under non-puddled conditions in Eastern India.

Increasing farm labor scarcity and depletion of natural resources such as water are posing a major threat to the sustainability of traditional puddled transplanted rice (PTR) farming in Eastern India. Dry-seeded rice (DSR) or non-puddled transplanted rice (NPTR) could be used as an alternative to PTR. To understand the trade-off with different water management and rice genotypes under non-puddled conditions, a field experiment was conducted during 2014-2015 on a sandy clay loam soil of Bhubaneswar, Odisha.

Computational discovery of potent drugs to improve the treatment of pyrazinamide resistant Mycobacterium tuberculosis mutants.

Emergence of multi-drug resistance tuberculosis has become a serious health problem globally. Accumulation of mutations in the drug target led to the development of multi-drug resistant mycobacterial strains that have made most of the conventional drugs ineffective. Hence, there is desperate need for the development of new therapeutic strategies.

Assessment of genetic diversity in ragi [Eleusine coracana (L.) Gaertn] using morphological, RAPD and SSR markers.

Finger millet (Eleusine coracana L. Gaertn., 2n=36) is one of the most important minor crops, commonly known as 'ragi' and used as a staple food grain in more than 25 countries including Africa and south Asia.

Deep insights into the mode of ATP-binding mechanism in Zebrafish cyclin-dependent protein kinase-like 1 (zCDKL1): A molecular dynamics approach.

In eukaryotes, the serine/threonine kinases (STKs) belonging to cyclin-dependent protein kinases (CDKs) play significant role in control of cell division and curb transcription in response to several extra and intra-cellular signals indispensable for enzymatic activity. The zebrafish cyclin-dependent protein kinase-like 1 protein (zCDKL1) shares a high degree of sequence and structural similarity with mammalian orthologs and express in brain, ovary, testis, and low levels in other tissues. Regardless of its importance in the developmental process, the structure, function and mode of ATP recognition have not been investigated yet due to lack of experimental data.