Molecular docking analysis of arjunolic acid from with a coronary artery disease target APOE4.

Apo lipoprotein-E (APOE) encoded by APOE gene, is a plasma glycoprotein of 34.15 kDa and has a significant genetic association in coronary artery disease (CAD) progression. The silent epidemic of different cardiovascular diseases including CAD challenges novel therapeutic alternatives to prevent to treat chronic conditions of the disease and its associated complications.

Codon usage bias analysis of genes linked with esophagus cancer.

Esophageal cancer involves multiple genetic alternations. A systematic codon usage bias analysis was completed to investigate the bias among the esophageal cancer responsive genes. GC-rich genes were low (average effective number of codon value was 49.

Expedient Ni-catalyzed C-H/C-H cross-dehydrogenative coupling of aryl amides with azoles.

A nickel-catalyzed C-H heteroarylation of arenes has been described using a removable oxazoline-aniline derived directing group. Utilization of an inexpensive nickel(II)-catalyst, substrate scope, functional group diversity and late-stage functionalization of xanthine-derived commercial drugs are the important practical features.

Computational approaches for evaluation of isobavachin as potential inhibitor against t877a and w741l mutations in prostate cancer.

Prostate cancer is the World's second most common cancer, with the fifth-highest male mortality rate. Point mutations such as T877A and W741L are frequently seen in advanced prostate cancer patients, conferring drug-resistance and hence driving cancer growth. Such occurrence of drug resistance in prostate cancer necessitates designing of suitable ligands to ensure better interactions with the receptors which can block the progression of the disease.

Bioremediation: an alternative approach for detoxification of polymers from the contaminated environment.

The industries and metropolitan wastes produced by anthropogenic activities are of great concern for nature as it causes soil contamination and deteriorate the environment. Plastic utilization is rapidly enhancing globally with passing days that last for a more extended period in the environment due to slow decomposition and natural degradation. Excessive use of polymer has risked the life of both marine, freshwater and terrestrial organisms.

Pd-catalyzed bidentate auxiliary assisted remote C(sp)-H functionalization.

Pd-catalyzed C-H functionalisation affords effective synthetic tools to construct C-C and C-X bonds. Despite the challenges, the distal functionalization of C(sp)-H bonds has witnessed significant developments and the use of bidentate auxiliaries has garnished this area by providing an opportunity to control reactivity as well as selectivity beyond proximal sites. This article covers the recent developments on the Pd-catalyzed bidentate auxiliary-assisted distal C(sp)-H functionalization and is categorized based on the nature of functionalizations.

King or royal family? Testing for species boundaries in the King Cobra, Ophiophagus hannah (Cantor, 1836), using morphology and multilocus DNA analyses.

In widespread species, the diverse ecological conditions in which the populations occur, and the presence of many potential geographical barriers through their range are expected to have created ample opportunities for the evolution of distinct, often cryptic lineages. In this work, we tested for species boundaries in one such widespread species, the king cobra, Ophiophagus hannah (Cantor, 1836), a largely tropical elapid snake distributed across the Oriental realm. Based on extensive geographical sampling across most of the range of the species, we initially tested for candidate species (CS) using Maximum-Likelihood analysis of mitochondrial genes.

Identification of disease genes and assessment of eye-related diseases caused by disease genes using JMFC and GDLNN.

Early detection of disease genes helps humans to recover from certain gene-related diseases, like genetic eye diseases. This work identifies the possibility of eye diseasesfor the disease genes utilizing a Gaussian-activation function (G)-centric deeplearning neural network (GDLNN) model. In this work, human genes are selected by computing structural similarity and genes are clustered as disease genesand normal genes by using the JMFC clustering algorithm.

In Silico Approach for Phytocompound-Based Drug Designing to Fight Efflux Pump-Mediated Multidrug-Resistant Mycobacterium tuberculosis.

Tuberculosis (TB), caused by the bacteria Mycobacterium tuberculosis, is one of the principal causes of death in the world despite the existence of a significant number of antibiotics aimed against it. This is mainly due to the drug resistance mechanisms present in the bacterium, which leads to multidrug-resistant tuberculosis (MDR-TB). Additionally, the development of new antibiotics has become limited over the years.

Estimation of drug-likeness properties of GC-MS separated bioactive compounds in rare medicinal using molecular docking technique and SwissADME in silico tools.

Unlabelled: The main aim of the paper was to determine bioactive compounds in extracts using gas chromatographic technique and to investigate their drug-likeness potential using molecular docking algorithm and ADME studies on the recent intractable disease, for example, SARS-CoV-2. sample was prepared for GC-MS analysis. The peak components were identified based on the NIST Library.

Enhancement of air-stability, π-stacking ability, and charge transport properties of fluoroalkyl side chain engineered n-type naphthalene tetracarboxylic diimide compounds.

In this study, the impact of fluoroalkyl side chain substitution on the air-stability, π-stacking ability, and charge transport properties of the versatile acceptor moiety naphthalene tetracarboxylic diimide (NDI) has been explored. A density functional theory (DFT) study has been carried out for a series of 24 compounds having different side chains (alkyl, fluoroalkyl) through the imide nitrogen position of NDI moiety. The fluoroalkyl side chain engineered NDI compounds have much deeper highest occupied molecular orbitals (HOMO) and lowest unoccupied molecular orbitals (LUMO) than those of their alkyl substituted compounds due to the electron withdrawing nature of fluoroalkyl groups.

Experimental study of dengue virus infection in Aedes aegypti and Aedes albopictus: A comparative analysis on susceptibility, virus transmission and reproductive success.

Epidemiology of dengue fever has substantially changed over the years with respect to prevalent strains, affected geographical locations and severity of disease. Mosquito vectors show variable response in terms of susceptibility to four different serotypes of dengue virus. Although studies have postulated that, the vectors Ae.

Metal induced non-metallothionein protein in earthworm: A new pathway for cadmium detoxification in chloragogenous tissue.

Earthworms neutralize toxic metals by a small (∼13 kDa) cysteine rich metal binding protein, metallothionein (MT). Although the rate of metal accumulation and MT expression does not correlate well, the reason behind such inconsistency has not yet been deciphered. The present investigation clearly demonstrates that expression of some non-MT metal induced proteins is responsible for such incongruity.

Development of a novel and rapid polymerase spiral reaction (PSR) assay to detect Salmonella in pork and pork products.

The polymerase spiral reaction (PSR), a novel isothermal method for targeted DNA amplification, was effectively applied to detect Salmonella in artificially spiked pork. The specificity of the developed PSR was tested using 16 Salmonella and 15 non-Salmonella strains. The PSR assay was 10-fold more sensitive than conventional end-point PCR, having a sensitivity comparable to real-time PCR.

A computational study of anisotropic charge transport in air-stable fluorinated benzobisbenzothiophene (FBBBT) derivatives.

A computational study of anisotropical charge transport properties of fluorinated benzobisbenzothiohphene derivatives (FBBBT) is presented. The values of IP of all FBBBTs are found in the range of 6.00-6.

Detoxification and eco-friendly recycling of brick kiln coal ash using Eisenia fetida: A clean approach through vermitechnology.

Brick kiln coal ashes (BKCAs) are one of the major toxic byproducts of the rapidly growing construction industry in developing countries. However, eco-friendly recycling avenues for BKCAs are yet to be explored. The major objectives of the present research were to evaluate the viability of vermitechnology in transforming BKCAs into valuable products, and to examine the metal detoxification potential of Eisenia fetida BKCA-based feedstocks.

The Scent of Stress: Evidence From the Unique Fragrance of Agarwood.

Agarwood ( spp.) fragrance and its origin in stress make it probably the most suitable model to study stress-induced aroma. Production being confined only to certain small pockets of South and Southeast Asia, agarwood is arguably the costliest wood in the world.

New types of organic semiconductors based on diketopyrrolopyrroles and 2,1,3-benzochalcogenadiazoles: a computational study.

A comprehensive computational study is performed on model compounds based on 2,1,3-benzochalcogenadiazoles and diketopyrrolopyrroles of A-π-A'-π-A architecture (A and A' represent 2,1,3-benzochalcogenadiazoles and diketopyrrolopyrroles, respectively, and π is the bridging unit between them including thiophene, furan, and selenophene) for their utility as organic semiconductors. The compounds were found to possess planar geometry, which is a desired property for organic semiconductors. The electronic properties, including adiabatic and vertical electron affinity (EA), adiabatic and vertical ionization potential (IP), reorganization energy (λ), hole injection barrier and electron injection barrier, transfer integral, and charge mobility, were calculated.

Hyper-ammonia stress causes induction of inducible nitric oxide synthase gene and more production of nitric oxide in air-breathing magur catfish, Clarias magur (Hamilton).

Nitric oxide (NO) is an important signalling molecule that plays diverse physiological functions in several vertebrates including that of adaptation to various stressful stimuli. The air-breathing magur catfish (Clarias magur) is known to tolerate a very high external ammonia (HEA) stress in its natural habitats. We report here the possible induction of inducible nitric oxide (inos) gene and more generation of NO in magur catfish exposed to HEA.

Microbial functional diversity plays an important role in the degradation of polyhydroxybutyrate (PHB) in soil.

Towards bioremediation of recalcitrant materials like synthetic polymer, soil has been recognized as a traditional site for disposal and subsequent degradation as some microorganisms in soil can degrade the polymer in a non-toxic, cost-effective, and environment friendly way. Microbial functional diversity is a constituent of biodiversity that includes wide range of metabolic activities that can influence numerous aspects of ecosystem functioning like ecosystem stability, nutrient availability, ecosystem dynamics, etc. Thus, in the current study, we assumed that microbial functional diversity could play an important role in polymer degradation in soil.

Lipopolysaccharide causes NFĸB-mediated induction of inducible nitric oxide synthase gene and more production of nitric oxide in air-breathing catfish, Clarias magur (Hamilton).

The magur catfish (Clarias magur) is a facultative air-breather and regularly encounters with various environmental changes along with exposure to various bacterial pathogens in its natural habitats. Occurrence of various biochemical adaptational strategies related to nitrogen metabolism in magur catfish is already known. The present investigation aimed at determining the possible induction of inducible nitric oxide synthase (inos) gene and stimulation of nitric oxide (NO) production in this catfish while challenging with lipopolysaccharide (LPS, a bacterial endotoxin) treatment, and also to determine the involvement of nuclear factor kappa B (NFkB) in induction of inos gene.

Pre-oxidation of low-density polyethylene (LDPE) by ultraviolet light (UV) promotes enhanced degradation of LDPE in soil.

Polyethylene represents nearly 64% of all the synthetic plastics produced and are mainly used for domestic and industrial applications. Their extensive use poses a serious environmental threat because of their non-biodegradable nature. Among all the polyethylene remediation strategies, in situ bioremediation happens to be the safest and efficient one.

Nanoscale wide-band semiconductors for photocatalytic remediation of aquatic pollution.

Water pollution is a serious challenge to the public health. Among different forms of aquatic pollutants, chemical and biological agents create paramount threat to water quality when the safety standards are surpassed. There are many conventional remediatory strategies that are practiced such as resin-based exchanger and activated charcoal/carbon andreverse osmosis.

Zinc oxide nanoparticle inhibits the biofilm formation of Streptococcus pneumoniae.

Biofilms are structured consortia of microbial cells that grow on living and non living surfaces and surround themselves with secreted polymers. Infections with bacterial biofilms have emerged as a foremost public health concern because biofilm growing cells can be highly resistant to both antibiotics and host immune defenses. Zinc oxide nanoparticles have been reported as a potential antimicrobial agent, thus, in the current study, we have evaluated the antimicrobial as well as antibiofilm activity of zinc oxide nanoparticles against the bacterium Streptococcus pneumoniae which is a significant cause of disease.

Addition of Rubber to soil damages the functional diversity of soil.

Rubber is a polymer of isoprene, consisting mainly of cis-1,4-polyisoprene units. The unmanageable production and its irresponsible disposal pose severe threats to environmental ecology. Therefore, the current study focuses extensively on the ill-effects of Rubber disposal on soil microbial functional diversity as it reflects the health of ecosystem by acting as a key component in ecosystem productivity.