One-Pot Green Synthesis and Biological Evaluation of Dimedone-Coupled 2,3-Dihydrofuran Derivatives to Divulge Their Inhibition Potential against Staphylococcal Thioredoxin Reductase Enzyme.

New therapeutic leads are in global demand against multiple drug-resistant , as presently there is no drug of choice left to treat this pathogen. In the present work, we have designed, synthesized, and in vitro validated dimedone-coupled 2,3-dihydrofuran (DDHF)-based inhibitor scaffolds against Staphylococcal thioredoxin reductase (SaTR), a pivotal drug target enzyme of Gram-positive pathogens. Accordingly, a green multicomponent method that is both efficient and one pot has been optimized to synthesize DDHF derivatives.

The rapid construction and biological evaluation of densely substituted pyrrolo[1,2-]indoles a BF·OEt-assisted cascade approach.

Lewis-acid cascade reactions promoted by BF·OEt are reported for the synthesis of highly substituted pyrrolo[1,2-]indoles and congeners of benzofuro[2,3-]indoles. These reactions are highly regio- and diastereoselective towards generating up to five contiguous stereogenic centers, including two vicinal quaternary centers. Furthermore, an established cascade approach and the mechanism proposed herein are well supported by quantum chemistry calculations.

Molecular Mechanisms Driving and Regulating the AAA+ ATPase VCP/p97, an Important Therapeutic Target for Treating Cancer, Neurological and Infectious Diseases.

p97/VCP, a highly conserved type II ATPase associated with diverse cellular activities (AAA+ ATPase), is an important therapeutic target in the treatment of neurodegenerative diseases and cancer. p97 performs a variety of functions in the cell and facilitates virus replication. It is a mechanochemical enzyme that generates mechanical force from ATP-binding and hydrolysis to perform several functions, including unfolding of protein substrates.

Effect of Mn doping on the electronic and optical properties of DyTiO: a combined spectroscopic and theoretical study.

Electronic and optical studies on DyTiMnO(= 0.00, 0.05, 0.

Effective Synthesis and Biological Evaluation of Functionalized 2,3-Dihydrofuro[3,2-]coumarins via an Imidazole-Catalyzed Green Multicomponent Approach.

For the first time, an eco-friendly and efficient one-pot green multicomponent approach has been described to synthesize functionalized -2,3-dihydrofuro[3,2-]coumarins (DHFCs). In this synthesis, imidazole and water were used as the catalyst and solvent, respectively, under mild conditions. Applications of the developed catalytic process in a water medium revealed the outstanding activity, productivity, and broad functional group tolerance, affording a series of newly designed DHFC and derivatives in excellent yields (72-98%).

Quorum Quenching-Guided Inhibition of Mixed Bacterial Biofilms and Virulence Properties by Protein Derived From Leaves of .

The inhibition/degradation potential of proteinaceous leaf extract against mixed bacterial biofilm of MTCC 96, MTCC 1304, MTCC 741, and MTCC 109, responsible for nosocomial infections, was evaluated. Distinct inhibition/degradation of mixed bacterial biofilm by the proteinaceous leaf extract of was observed under a microscope, and it was found to be 80%. For mono-species biofilm, the maximum degradation of 70% was observed against biofilm.

Anti-SARS-CoV-2 potential of Cissampelos pareira L. identified by connectivity map-based analysis and in vitro studies.

Background: Viral infections have a history of abrupt and severe eruptions through the years in the form of pandemics. And yet, definitive therapies or preventive measures are not present. Herbal medicines have been a source of various antiviral compounds such as Oseltamivir, extracted using shikimic acid from star anise (Illicium verum) and Acyclovir from Carissa edulis are FDA (Food and Drug Administration) approved antiviral drugs.

Effective Synthesis and Biological Evaluation of Natural and Designed Bis(indolyl)methanes via Taurine-Catalyzed Green Approach.

An ecofriendly, inexpensive, and efficient route for synthesizing 3,3'-bis(indolyl)methanes (BIMs) and their derivatives was carried out by an electrophilic substitution reaction of indole with structurally divergent aldehydes and ketones using taurine and water as a green catalyst and solvent, respectively, under sonication conditions. Using water as the only solvent, the catalytic process demonstrated outstanding activity, productivity, and broad functional group tolerance, affording the required BIM natural products and derivatives in excellent yields (59-90%). Furthermore, in silico based structure activity analysis of the synthesized BIM derivatives divulges their potential ability to bind antineoplastic drug target and spindle motor protein kinesin Eg5.

Physico-chemical characterization of kajjali, black sulphide of mercury, with respect to the role of sulfur in its formation and structure.

Background: Kajjali is used as a base for Ayurvedic herbo-mineral medicines. It is a combination of mercury with sulfur in varying proportions. The ratio of sulfur (S) added to mercury (Hg) directly relates to the therapeutic efficacy of the compound.

Robust spin-ice freezing in magnetically frustrated HoGeTiOpyrochlore.

Structural analysis of spin frustrated HoGeTiO(= 0, 0.1, 0.15 & 0.

Role of chemical pressure on optical and electronic structure of HoGe Ti O.

Chemical pressure plays a crucial role in determining the electronic properties of the quantum materials. Investigation of electronic structure of HoGe Ti O (x  =  2, 1.9, 1.

Signatures of consolidated superparamagnetic and spin-glass behavior in magnetite-silver core-shell nanoparticles.

A detailed investigation of magnetization relaxation for silver-coated magnetite nanostructures with three different types of magnetic behavior in a single particle is presented. Magnetite nanoparticles of diameter ∼6.5 nm synthesized via single-phase emulsion were further coated with a silver shell of thickness ∼2 nm.

Development of thermal energy storage materials for biomedical applications.

The phase change materials (PCMs) have been utilized widely for solar thermal energy storage (TES) devices. The quality of these materials to remain at a particular temperature during solid-liquid, liquid-solid phase transition can also be utilized for many biomedical applications as well and has been explored in recent past already. This study reports some novel PCMs developed by them, along with some existing PCMs, to be used for such biomedical applications.