Ultrasensitive Pd nano catalyst as peroxidase mimetics for colorimetric sensing and evaluation of antioxidants and total polyphenols in beverages and fruit juices.

Herein, we developed a new Pd NP from the aq extract of Elsholtzia blanda Benth. flower that showed efficient peroxidase mimetic activity. The catalytic mechanism was confirmed through colorimetric analysis.

Overview of coumarin-fused-coumarins: synthesis, photophysical properties and their applications.

Coumarin-fused-coumarins have attracted significant attention in the scientific world owing to their boundless applications in interdisciplinary areas. Various synthetic pathways have been developed to construct novel coumarin-fused-coumarin analogues by the fusion of modern methodologies with a classical Pechmann reaction or Knoevenagel condensation. Owing to their extended molecular framework, they possess interesting photophysical properties depending on the fused coumarin ring systems.

Antidiabetic potential of soy protein/peptide: A therapeutic insight.

Soybean (Glycine max) harbours high quality proteins which have been evident to exhibit therapeutic properties in alleviating many diseases including but not limited to diabetes and its related metabolic complications. Since diabetes is often manifested with hyperglycemia, impaired energy homeostasis and even low-grade chronic inflammation, plenty of information has raised the suggestion for soy protein supplementation in preventing and controlling these abnormalities. Moreover, clinical intervention studies have established a noteworthy correlation between soy protein intake and lower prevalence of diabetes.

Correction: Ruthenium(II)-catalyzed decarbonylative and decarboxylative coupling of isatoic anhydrides with salicylaldehydes: access to aryl 2-aminobenzoates.

Correction for 'Ruthenium(II)-catalyzed decarbonylative and decarboxylative coupling of isatoic anhydrides with salicylaldehydes: access to aryl 2-aminobenzoates' by Bidisha R. Bora , , 2021, , 2725-2730, DOI: 10.1039/d1ob00027f.

Chemoinformatics and Machine Learning Approaches for Identifying Antiviral Compounds.

Current pandemics propelled research efforts in unprecedented fashion, primarily triggering computational efforts towards new vaccine and drug development as well as drug repurposing. There is an urgent need to design novel drugs with targeted biological activity and minimum adverse reactions that may be useful to manage viral outbreaks. Hence an attempt has been made to develop Machine Learning based predictive models that can be used to assess whether a compound has the potency to be antiviral or not.

Nanocomposite and bio-nanocomposite polymeric materials/membranes development in energy and medical sector: A review.

Nanocomposite and bio-nanocomposite polymer materials/membranes have fascinated prominent attention in the energy as well as the medical sector. Their composites make them appropriate choices for various applications in the medical, energy and industrial sectors. Composite materials are subject of interest in the polymer industry.

Transcriptome-wide analysis of North-East Indian rice cultivars in response to Bipolaris oryzae infection revealed the importance of early response to the pathogen in suppressing the disease progression.

Brown spot disease (BSD) of rice (Oryza sativa L.) caused by Bipolaris oryzae is one of the major and neglected fungal diseases worldwide affecting rice production. Despite its significance, very limited knowledge on genetics and genomics of rice in response to B.

Fate of Sc-Ion Interaction With Water: A Computational Study to Address Splitting Water Versus Solvating Sc Ion.

An exhaustive study of Sc-ion interaction with water molecules in all its possible oxidation and spin states has been carried out to delineate the relative propensity of Sc ions toward solvation and water splitting. Potential energy surface analysis of the Sc-ion reaction with water molecules, topological analysis of bonds, and the effect of sequential solvation up to 6 water molecules have been examined. Calculated values showed good agreement with the available experimental results.

Production of cellulase by sp. Cm1 and its potential application in lignocellulosic waste hydrolysis.

Management of lignocellulosic wastes in and around the municipality area requires special consideration. Continuous deposition of these wastes to the nearby areas led to gradual deterioration of the environment. The objective of this study was to produce cellulase from the bacteria isolated from the unexplored rainforest of NE-India for lignocellulosic waste hydrolysis.

RdRp (RNA-dependent RNA polymerase): A key target providing anti-virals for the management of various viral diseases.

With the arrival of the Covid-19 pandemic, anti-viral agents have regained center stage in the arena of medicine. Out of the various drug targets involved in managing RNA-viral infections, the one that dominates almost all RNA viruses is RdRp (RNA-dependent RNA polymerase). RdRp are proteins that are involved in the replication of RNA-based viruses.

Recent advances in decarbonylative annulation reactions.

In recent years, decarbonylative annulation reactions have emerged as one of the most efficient routes to construct a variety of important carbocyclic and heterocyclic scaffolds. The main advantages of this type of reaction are, first, the carbonyl compounds are used as the starting materials which are abundant in nature and second, the major by-product of this reaction is carbon monoxide. In the last two decades, various intramolecular and intermolecular decarbonylative annulation reactions have been performed using carbonyl compounds and alkenes/alkynes/arenes/isocyanates as the annulation partners.

Structure based designing of thiazolidinone-pyrimidine derivatives as ERK2 inhibitors: Synthesis and in vitro evaluation.

Breast cancer has been associated with an overexpression of various molecular targets; accordingly, various target-specific chemotherapeutic agents have been developed. Inhibition of ERK2, a member of MAPK pathway, is an important target involved in the treatment of both oestrogen receptor-positive and triple-negative breast cancer. Thus, in continuation of our previous work on the ERK2 target, we here report novel inhibitors of this kinase.

Identification of Arg32Ser, His92Tyr and Leu147Phe novel mutations in chromosomally mediated β-lactamase SHV and characterization to understand their substrate activity imparting resistance.

The emergence of β-lactam resistance is yearning for clinical significance in , which are categorized under global priority pathogen lists by the World Health Organization. Likewise, the prevalence of numerous β-lactamase enzymes, mutational propensity in such bacteria, and their role in accelerating resistance is still a major concern. Thus, the present work intends to characterize the β-lactamase producing bacteria isolated from acute diarrheal patients to understand their chromosomally acquired resistance pattern through molecular characterization and approaches.

Access to diverse organosulfur compounds arynes: a comprehensive review on Kobayashi's aryne precursor.

Arynes are highly reactive transient intermediates having enormous applications in organic synthesis. In the last three decades aryne chemistry has shown incredible developments in carbon-carbon and carbon-heteroatom bond formation reactions. After the discovery of Kobayashi's protocol for the generation of aryne intermediates in a mild way, this field of chemistry witnessed rapid growth in synthetic organic chemistry.

Molecular descriptor analysis of approved drugs using unsupervised learning for drug repurposing.

Machine learning and data-driven approaches are currently being widely used in drug discovery and development due to their potential advantages in decision-making based on the data leveraged from existing sources. Applying these approaches to drug repurposing (DR) studies can identify new relationships between drug molecules, therapeutic targets and diseases that will eventually help in generating new insights for developing novel therapeutics. In the current study, a dataset of 1671 approved drugs is analyzed using a combined approach involving unsupervised Machine Learning (ML) techniques (Principal Component Analysis (PCA) followed by k-means clustering) and Structure-Activity Relationships (SAR) predictions for DR.

Bioassay-guided isolation of potent α-glucosidase inhibitory compounds from the fruit of Buch-Ham ex D Don. and their screening.

Two bioactive compounds caffeic and sinapic acid were isolated from the fruit of the Buch-Ham ex D Don using bioassay guided approach. These compounds were isolated from water fraction using column chromatography followed by semi preparative HPLC. These compounds showed very potent anti-diabetic and antioxidant activities.

Fabrication of magnetically separable ruthenium nanoparticles decorated on channelled silica microspheres: Efficient catalysts for chemoselective hydrogenation of nitroarenes.

FeO-SiO microspheres were synthesized by a three-step synthetic procedure involving silica coating, surface capping, and surface modification. These magnetic mesoporous microspheres were employed as sorbents for the incorporation of ultrasmall Ru nanoparticles (2-5 nm) followed by thermal aggregation of the microspheres for achieving better heterogeneity and low leaching. The Ru decorated FeO-SiO microspheres (Ru@FeO-CSM) were applied as chemoselective catalysts to convert more than 20 substituted nitroarenes to corresponding amines with good-to-excellent conversion (77-99%) and selectivity (70-100%) under mild conditions; the catalyst can be magnetically recovered within a frame of 90s (recovery time-lapse) and reused up to 5 times without significant decrease in activity or selectivity.

Correction: A novel method for the rapid sensing of HO using a colorimetric AuNP probe and its DFT study.

Correction for 'A novel method for the rapid sensing of HO using a colorimetric AuNP probe and its DFT study' by Nirangkush Borah , , 2021, , 2055-2065, DOI: 10.1039/D1AY00355K.

Total synthesis of the pseudoindoxyl class of natural products.

The pseudoindoxyl sub-structural motif, amongst the large set of the indole class of alkaloids, represents a unique subset of the oxygenated indole class of the alkaloid family. A majority of this class of natural products contains complex bridged/polycyclic scaffolds with interesting biological profiles. They are thus attractive synthetic targets.

Drug repositioning for anti-tuberculosis drugs: an in silico polypharmacology approach.

Development of potential antitubercular molecules is a challenging task due to the rapidly emerging drug-resistant strains of Mycobacterium tuberculosis (M.tb). Structure-based approaches hold greater benefit in identifying compounds/drugs with desired polypharmacological profiles.

and , Fusarium wilt disease responsive genes of tomato ( L.) express tissue specifically and interact with each other at cytoplasm in vivo.

Unlabelled: Fusarium wilt caused by () is a major fungal disease of tomato ( L.). ( and ( have been identified as putative negative regulatory genes associated with Fusarium wilt of tomato.

Study of lipid heterogeneity on bilayer membranes using molecular dynamics simulations.

Human cell membranes consist of various lipids that are essential for their structure and function. It typically comprises phosphatidylcholine (POPC), phosphatidylethanolamine (POPE), phosphatidylserine (POPS), sphingomyelin (PSM), and cholesterol (CHL). Several experimental and computational techniques have been employed to characterize the composition of human cell membranes, however, CHL enriched membrane is still not clearly understood through these techniques.

Cell Wall Permeability Model Generation Using Chemoinformatics and Machine Learning Approaches.

The drug-resistant strains of () are evolving at an alarming rate, and this indicates the urgent need for the development of novel antitubercular drugs. However, genetic mutations, complex cell wall system of , and influx-efflux transporter systems are the major permeability barriers that significantly affect the drugs activity. Thus, most of the small molecules are ineffective to arrest the cell growth, even though they are effective at the cellular level.