Regioselective synthesis of pyrimidine-fused tetrahydropyridines and pyridines by microwave-assisted one-pot reaction

Molecular Diversity - A regioselective three-component reaction of α,β-unsaturated aldehydes, cyclic 1,3-dicarbonyls and 6-aminouracils in the presence of FeCl3·6H2O as catalyst...     

Discovery of novel chemotypes for competitive AMPA receptor antagonists as potential antiepileptic agents through structure-based virtual screening of natural products library

Structural Chemistry - Competitive AMPA receptor antagonists serve as the promising and validated strategy towards the development of novel antiepileptic agents. For this purpose, the...     

Theoretical analysis for transmission of Gaussian and sine time irradiance of electromagnetic beam in collisional dusty plasmas

A theoretical model of propagation of Gaussian and Sine time irradiance of an electromagnetic beam in collisional dusty plasma has been done in the present analysis. It contains equilibrium of dust charge, particle density, and energy of plasma ingredients having charge neutrality. Ionization of neutral particles, recombination of free electrons with ions, adsorption and emission of electrons from dust grain surface, and binary collisions between plasma components are also considered in this treatment. Time varying behaviour of modified electron temperature and collision frequency has been illustrated numerically as a function of dust densities. Also, the comparative analyses of variation of beam waist parameter with the dimensionless length of transmission for both the Gaussian and Sine time irradiance are involved in this model as a function of distinguishable time width, collision frequencies, and dust densities under the condition that the size of dust nebulous is greater than the electrons mean free path for the adsorption on the dust grain surface. The observed results are significant for the applications in industry and astrophysics.     

An organocatalyzed highly regioselective one-pot approach to the synthesis of tetrahydrobenzofuranones

An organocatalyzed highly regioselective synthesis of substituted tetrahydrobenzofuran-4-ones based on the ring opening followed by cyclization of epoxides with enamines of 1,3-cyclohexanediones in a domino fashion is described. It is a high yielding (74–93%) synthetic protocol tolerant to a wide range of substrates. Ambient temperature, organocatalytic approach, atom-economy, and formation of water as the only by-product are some of the attractive features of the present methodology.     

Determination of comprehensive in silico determinants as a strategy for identification of novel PI3Kα inhibitors

Structural Chemistry - The PI3KCA gene functions by activating cascade signaling pathways leading to cell proliferation, survival, and growth. Being one of the frequently aberrant kinase in various...     

Heterologous Expression of Legumin Gene in <Emphasis Type="Italic">E. coli</Emphasis> Isolated from cDNA Clones of Immature Seeds of Pigeonpea (<Emphasis Type="Italic">Cajanus cajan</Emphasis> L.)

Proteins are one of the targets for improving the nutritional quality, and attempts are being made through manipulation of its native gene(s). Pigeonpea (Cajanus cajan L.) is one of the nutritionally important legumes of tropical and subtropical regions of the world, and studies of the structure of seed storage proteins and their interactions have been limited by the difficulty of isolating single-protein subunits in large amounts from a complex mixture of the seed endosperm. One way to overcome this problem is the expression of seed storage protein-encoded gene(s) in heterologous systems that have additional advantages wherein specific gene modifications can be made and the new gene constructs can quickly be expressed. Legumin protein was extracted from pigeonpea seeds of different developmental stages (5th to 25th day after flowering [DAF]) and characterized. The legumin gene (leg) of size 1.482 kb was screened, using the deoxygenin-labeled legumin probe, from the complementary deoxyribonucleic acid (cDNA) library, constructed from 18-day-old (DAF) immature seeds of pigeonpea and sequenced (accession no. AF3555403). The legumin gene was further characterized by DNA blotting, and its probable secondary structure was predicted using online ExPASy server. Significant Protein Data Bank (PDB) alignment of the deduced legumin protein by BLASTP was observed with proglycinin of soybean. Comparative 3D structural homology was predicted by Cn3D software, and the legumin protein showed the 3D structure alignment and interaction homology with proglycinin chain 1FXZA (PDB no. 1FXZ). The legumin gene was subcloned in vector pET-24a driven by the bacterial promoter, and its expression was detected in Escherichia coli by immunoblotting using polyclonal antibodies, raised against the purified legumin protein.     

Synthesis of aminouracil-tethered tri-substituted methanes in water by iodine-catalyzed multicomponent reactions

Molecular Diversity - An efficient, mild and environmentally benign protocol has been developed for the synthesis of aminouracil-tethered tri-substituted methane derivatives. The three-component...     

Theoretical model for the effect of dust grains on self‐filamentation of a gaussian electromagnetic beam in a fully ionized plasma

A theoretical model for the effect of dust grains on the self‐filamentation of a Gaussian electromagnetic beam propagating in a fully ionized plasma has been developed by employing the energy balance of the plasma constituents, perturbed electron and ion concentrations, and temperature. In this model, neutral atom ionization, re‐integration and accumulation of electrons and ions, photoelectric emission of electrons from the surface of dust grains, as well as elastic and charging collisions have also been considered. The effective dielectric constant in the presence of dust grains has been constructed. The effect of temporal growth of dust grains on various plasma parameters for different values of the dust density has been explored. The variation of the beam width with the normalized channel of propagation has been observed for distinct dust densities and dust charge states. It is observed that the non‐linearity induced by the effective dielectric constant in the presence of dust grains increases the self‐filamentation of the beam, thus enhancing the effective critical power with the dust density. Some of the outcomes of our approach are in line with experimental observations. These outcomes may be useful for explaining space and laboratory plasma experiments as well as for future studies in complex plasmas.     

Visible-light-mediated Gomberg-Bachmann reaction: An efficient photocatalytic approach to 2-aminobiphenyls

An efficient, metal-free and highly selective protocol for the synthesis of 2-aminobiphenyls via visible-light-mediated arylation of anilines using aryl diazonium salts (Gomberg-Bachmann reaction) has been reported. The reaction is an example of photoredox catalysed direct C(sp²)–H arylation of anilines using eosin Y as an organophotoredox catalyst. The presented visible-light-mediated environmentally sustainable approach has the potential to earn a decent position among the classical and contemporary methods for the synthesis of aminobiaryls.     

Isolation and Characterization of Cross-Neutralizing Human Anti-V3 Single-Chain Variable Fragments (scFvs) Against HIV-1 from an Antigen Preselected Phage Library

Applied Biochemistry and Biotechnology - Recently conducted human phase- I trials showed protective effect of anti-HIV-1 broadly neutralizing antibodies (bnAbs). The V3 region of the HIV-1 envelope...