Modulating Catalytic Selectivity via NiZn-CdS Interface for Visible-Light Mediated Suzuki Cross-Coupling and Standalone NiZn Alloy for Ambient Synthesis of 1,2,3-Triazoles.

The synthesis of cost-effective, noble metal and copper-free NiZn alloy, CdS quantum dots (QDs), and their hybrid NiZn-CdS nanocomposite is reported and their efficiency as heterogeneous catalysts for visible light-mediated Suzuki-Miyaura cross-coupling (SMCC) and regioselective azide-alkyne cycloaddition (AAC) reactions is compared. A key breakthrough of this study is the catalytic inefficiency of hierarchically arranged NiZn alloy alone for SMCC reaction, under visible light illumination. However, upon integrating CdS QDs onto NiZn alloy nanoparticles via nanoscale interfacial engineering, a remarkable catalytic enhancement is observed.

PCy-assisted Ag(I)-catalyzed click reaction for regioselective synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature.

An approach towards Cu-free click chemistry has been developed in this work. Silver-catalyzed PCy-ligand-assisted synthesis of 1,4-disubstituted 1,2,3-triazoles at room temperature has been developed. Regioselectivity of the reaction was confirmed from the results of single-crystal X-ray diffraction (SC-XRD) of one of the products.

Recent Advances in Metal Free Synthesis of N-unsubstituted 1,2,3-Triazoles.

1, 2, 3-triazoles display enormous applications in the extensive fields of chemistry such as pharmaceuticals, ligands, conjectures, etc. Among these classes of compounds, the N-unsubstituted triazole emerges as a potent applicant for various fields of chemistry and therefore synthetic procedures for this molecular scaffold possess certain importance. Moreover, from an environmental perspective, metal-free organic synthesis gains tremendous attention as most of the metals are persistent in nature.

Room temperature ligand-free CuO-HO catalyzed tandem oxidative synthesis of quinazoline-4(3)-one and quinazoline derivatives.

An efficient and simple copper catalytic system has been developed for the synthesis of medicinally important 2-substituted quinazoline-4(3)-ones from 2-aminobenzonitrile and benzyl alcohol derivatives and additionally 2-substituted quinazolines from 2-aminobenzylamine and benzaldehyde derivatives. Mild oxidant HO was utilized, providing excellent product yields. The molecular structure of one of the compounds was substantiated through SC-XRD.

Removal of As(III)/As(V) from aqueous solution using newly developed thiosalicylic acid coated magnetite [TSA@FeO] nanoparticles.

The aim of this study was to develop an affordable adsorption methodology for removal of As(III)/As(V) from contaminated water. Herein, novel adsorbent TSA@FeO nanoparticles (NPs) were synthesized by decorating thiosalicylic acid (TSA) on magnetite nanoparticles (FeO NPs) and employed for removal of As(III)/As(V) species from artificially contaminated natural water systems. TSA@FeO NPs demonstrated excellent adsorption efficiency (AE) and 98% of As(V) and 93% of As(III) was removed at optimized experimental conditions.

Design and Synthesis of Quinazolinone-Triazole Hybrids as Potent Anti-Tubercular Agents.

A straightforward and convenient methodology has been developed for the reaction of 2-aminobenzamide and carbonyls affording 2,3-dihydroquinazolin-4(1)-ones using aqueous solution of [CPy][FeClBr]. The developed methodology was applied for the synthesis of 25 quinazolinone-triazole hybrids followed by evaluation of their anti-tubercular (TB) activity. The results revealed that 8 quinazolinone-triazole hybrids displayed promising activity having MIC values of 0.

[DDQM][HSO]/TBHP as a Multifunctional Catalyst for the Metal Free Tandem Oxidative Synthesis of 2-Phenylquinazolin-4(3)-ones.

A bifunctional ionic liquid (IL) [DDQM][HSO] has been designed and explored as a three-way catalyst for the synthesis of 2-phenylquinazolin-4(3)-ones from anthranilamide and benzyl alcohol in 3.5 min incorporating microwave irradiation. Photochemically the reaction proceeds for 4 h at room temperature and thermally for 8 h at 120 °C.

Preparation of a novel environmentally friendly hydrophobic deep eutectic solvent ChCl-THY and its application in removal of hexavalent chromium from aqueous solution.

A liquid-liquid extraction methodology was developed for the removal of Cr(VI) from contaminated water using a novel green hydrophobic deep eutectic solvent (DES) as an efficient sole extracting agent. The hydrophobic DES was obtained by mixing choline chloride and thymol in 1:4 molar ratio at 70°C for 10 min and was denoted as ChCl-THY(1:4). The ChCl-THY(1:4) works efficiently for removal of high (20 mg/L) and low (500 µg/L) concentration of Cr(VI) from artificially contaminated natural water with >95% extraction efficiency (E%) at optimized reaction conditions (pH 2-6, 40°C).

Versatile precursor-dependent copper sulfide nanoparticles as a multifunctional catalyst for the photocatalytic removal of water pollutants and the synthesis of aromatic aldehydes and NH-triazoles.

A series of copper sulfide (CS) nanoparticles (NPs) were synthesized just by varying the amount of the sulfur precursor and have been explored for the first time as a three-way heterogeneous catalyst in the photocatalytic oxidation of a number of aromatic alcohols, photocatalytic degradation and the reduction of water pollutants, and the facile synthesis of pharmaceutically important moiety 4-aryl-NH-1,2,3-triazoles. The green and novel protocol was successfully developed for the synthesis of covellite (CuS, Cu) and the covellite-villamaninite (CuS-CuS) (copper in Cu, Cu) phases of copper sulfide, employing EDTA both as the chelating and capping agent a simple precipitation method at room temperature using water as the solvent. A blue shift in the absorption spectra and band gap in the range of 2.

A Simple Work-Up-free, Solvent-free Approach to Novel Amino Acid Linked 1,4-Disubstituted 1,2,3-Triazoles as Potent Antituberculosis Agents.

An efficient, green strategy for synthesis of 1,4-disubstituted-1,2,3-triazole has been developed using 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU) acetate ionic liquid (200 μL) under a solvent- and external base-free condition.

Advances in developing small molecule SARS 3CL inhibitors as potential remedy for corona virus infection.

Originated in China, coronavirus disease 2019 (COVID-19)- the highly contagious and fatal respiratory disease caused by SARS-CoV-2 has already infected more than 29 million people worldwide with a mortality rate of 3.15% (according to World Health Organization's (WHO's) report, September 2020) and the number is exponentially increasing with no remedy whatsoever discovered till date. But it is not the first time this infectious viral disease has appeared, in 2002 SARS-CoV infected more than 8000 individuals of which 9.

Recent advances in the synthesis of Quinazoline analogues as Anti-TB agents.

Quinazoline analogues are one of the important nitrogen containing heterocycles that have significant bioactivity as well as found in a plethora of natural products. Tuberculosis is one of the serious universal health threats caused by Mycobacteriumtuberculosis (MTB) and primarily affects the lungs. Due to their significant bioactivity and natural occurrences of quinazolines, researchers are trying to synthesize new quinazoline analogues which may have significant potency against tuberculosis.

Tetraamminecopper(II) Sulfate Monohydrate in Oxidative Azide-olefin Cyclo-addition and Three-component Click Reaction.

Introduction: An effective Cu-complex, [Cu(NH3)4SO4 • H2O] was prepared conveniently from the inexpensive and easily available starting reagents in a simple route.

Materials And Methods: Excellent reactivity of the catalyst was observed towards two competent clickcycloadditions: (a) oxidative cycloaddition of azides with electron-poor olefins and (b) one-pot cycloaddition of alkynes with boronic acid and sodium azide under "click-appropriate" conditions.

Results: No external oxidant, short reaction time, high product yield, wide substrate scope, and aqueous solvent media make the azide-olefin cycloaddition approach a greener route in contrast to the reported methods.

A Low-Cost, Well-Designed Catalytic System Derived from Household Waste "Egg Shell": Applications in Organic Transformations.

A waste feedstock-derived economical basic alternative catalyst is described in this review. Eggshell is one of the household wastes created in tons of weight daily. Therefore, in order to reduce the environmental pollution-related problems, its use in heterogeneous catalysis can be attributed as a great contribution for the chemical and material science society to carry out several known reactions and for the much-needed energy alternative biodiesel production as low-cost catalytic system.

Synthesis and biological evaluation of novel 1,2,3-triazole derivatives as anti-tubercular agents.

A library of seventeen novel 1,2,3-triazole derivatives were efficiently synthesized in excellent yields by the popular 'click chemistry' approach and evaluated in vitro for their anti-tubercular activity against Mycobacterium tuberculosis H37Ra (ATCC 25177 strain). Among the series, six compounds exhibited significant activity with minimum inhibitory concentration (MIC) values ranging from 3.12 to 0.

Identification of novel human renin inhibitors through a combined approach of pharmacophore modelling, molecular DFT analysis and in silico screening.

Renin is an aspartyl protease of the renin-angiotensin system (RAS) and the first enzyme of the biochemical pathway for the generation of angiotensin II - a potent vasoconstrictor involved in the maintenance of cardiovascular homeostasis and the regulation of blood pressure. High enzymatic specificity of renin and its involvement in the catalysis of the rate-limiting step of the RAS hormone system qualify it as a good target for inhibition of hypertension and other associated diseases. Ligand-based pharmacophore model (Hypo1) was generated from a training set of 24 compounds with renin inhibitory activity.

Novel butyrylcholinesterase inhibitors through pharmacophore modeling, virtual screening and DFT-based approaches along-with design of bioisosterism-based analogues.

Ligand and structure-based pharmacophore models were used to identify the important chemical features of butyrylcholinesterase (BChE) inhibitors. A training set of 16 known structurally diverse compounds with a wide range of inhibitory activity against BChE was used to develop a quantitative ligand-based pharmacophore (Hypo1) model to identify novel BChE inhibitors in virtual screening databases. A structure-based pharmacophore hypothesis (Phar1) was also developed with the ligand-binding site of BChE in consideration.

3D pharmacophore-based virtual screening, docking and density functional theory approach towards the discovery of novel human epidermal growth factor receptor-2 (HER2) inhibitors.

Human epidermal growth factor receptor 2 (HER2) is one of the four members of the epidermal growth factor receptor (EGFR) family and is expressed to facilitate cellular proliferation across various tissue types. Therapies targeting HER2, which is a transmembrane glycoprotein with tyrosine kinase activity, offer promising prospects especially in breast and gastric/gastroesophageal cancer patients. Persistence of both primary and acquired resistance to various routine drugs/antibodies is a disappointing outcome in the treatment of many HER2 positive cancer patients and is a challenge that requires formulation of new and improved strategies to overcome the same.

An In Silico Approach for Identification of Potential Anti-Mycobacterial Targets of Vasicine and Related Chemical Compounds.

Tuberculosis (TB) is known to mankind as one of the most pervasive and persistent of diseases since the early days of civilization. The growing resistance of the causative pathogen Mycobacterium tuberculosis to the standard drug regimen for TB poses further difficulty in its treatment and control. Screening of novel plant-derived compounds with promising anti-tubercular activity has been cited as a prospective route for new anti-tubercular drug discovery and design.

Pd(OAc)2 in WERSA: a novel green catalytic system for Suzuki-Miyaura cross-coupling reactions at room temperature.

A recyclable/reusable Pd(OAc)2 catalysed Suzuki-Miyaura cross-coupling reaction condition in neat "Water Extract of Rice Straw Ash" (WERSA) at room temperature was developed. This is a ligand/base/promoter/additive/organic media free protocol.

Detection of Babesia bigemina infection in cattle from north-eastern India by polymerase chain reaction and its genetic relatedness with other isolates.

A total of 333 blood samples were collected from cattle suspected for haemoprotozoan infections from three states of north-eastern part of India. All the samples were examined for diagnosis of Babesia bigemina infection using PCR for detection of specific DNA. Out of these, 12 (3.

Structure-activity relationship study of BACE1 inhibitors possessing a chelidonic or 2,6-pyridinedicarboxylic scaffold at the P(2) position.

We have previously reported potent substrate-based pentapeptidic BACE1 inhibitors possessing a hydroxymethylcarbonyl isostere as a substrate transition-state mimic. While these inhibitors exhibited potent activities in enzymatic and cellular assays (KMI-429 in particular inhibited Aβ production in vivo), these inhibitors contained some natural amino acids that seemed to be required to improve enzymatic stability in vivo and permeability across the blood-brain barrier, so as to be practical drug. Recently, we synthesized non-peptidic and small-sized BACE1 inhibitors possessing a heterocyclic scaffold at the P2 position.

Protein targets of thioacetamide metabolites in rat hepatocytes.

Thioacetamide (TA) has long been known as a hepatotoxicant whose bioactivation requires S-oxidation to thioacetamide S-oxide (TASO) and then to the very reactive S,S-dioxide (TASO2). The latter can tautomerize to form acylating species capable of covalently modifying cellular nucleophiles including phosphatidylethanolamine (PE) lipids and protein lysine side chains. Isolated hepatocytes efficiently oxidize TA to TASO but experience little covalent binding or cytotoxicity because TA is a very potent inhibitor of the oxidation of TASO to TASO2.