Photoinduced Regioselective Decarbonylative and Decarboxylative C-O Bond Functionalizations: Approach toward Chemoselective Scissions of Isatoic Anhydride and Unraveling the Enroutes through Control Experiments and DFT Studies.

Distinctive, green, innovative, and well-organized photoinduced (metal- or photocatalyst-free) regioselective decarbonylative and decarboxylative C-O bond functionalization protocols to access aryl 2-aminobenzoates and 2-substituted benzoxazinone derivatives in excellent yields have been devised. These are achieved through the chemoselective scission of isatoic anhydride with ketones, diaryliodonium triflate, nitroalkene, phthalazinone, and phenol derivatives, which, in turn, served as the representative "electrophilic and nucleophilic" coupling partners. Control experiments and DFT calculations reveal that electrophilic radical-bearing coupling partners specifically follow the decarbonylation pathway, while nucleophilic radical-bearing conjugates facilitate the decarboxylation process.

Skeletal Reorganization Emanated via the Course of Heterocyclic N-N Bond Cleavage: Electrosynthetic Approach.

A unified method toward the synthesis of functionalized diazepines and quinazolines through reorganization of the molecular skeleton has been devised. The process is indulged by electrical energy via a domino N-N bond cleavage followed by concomitant ring closing, initiating from cinnolines and indazoles as designed precursors. Additionally, an intermolecular ring homologation has also been established to synthesize densely functionalized dihydroquinazolines from 2,3-diaryl-indazoles and acetonitrile involving the same electrochemical strategy.

Pragmatic Access to Hybrid Quinoxaline Scaffold Mediated by Elemental Sulfur Enabling Actualization to π-Extended and Aza-Annulated Heterocyclic Units.

A metal-free approach for synthesizing hybrid quinoxaline derivatives from sulfoxonium ylide and a 1,5-bis-nucleophilic N-heterocycle mediated by elemental sulfur is presented to illuminate the [5+1] cascade cyclization sequence. Large-scale synthesis and postsynthetic functionalizations for the annulative π-extension and intramolecular aza-annulation reactions reveal the potential utility and actualize the fabricated approach.

Harnessing the benzyne insertion consequence to enable π-extended pyrido-acridine and quinazolino-phenanthridine.

Distinct protocols have been devised for the preparation of hybrid heterocyclic scaffolds like π-extended pyrido-acridines and quinazolino-phenanthridines duly materialized through Rh(III)- and Pd(II)-mediated catalytic courses commencing from acridine and quinazolimine scaffolds. Interestingly, the parent compounds (acridines and quinazolimines) are actualized from 2-aminobenzonitrile and anthranilic acid, where 2-aminobenzonitrile acts as the 1,4-dipolarophilic species and anthranilic acid as the benzyne precursor. The molecular assembly of acridine suggests the participation of two benzyne units.

Cascade [4 1] Annulation through Activation of the C(sp)-H Bond Enabling Benzothiadiazinoisoindolcarboxylate, Benzothiadiazinoisoindole, and Benzothiadiazinoisoindolepyrrolidinedione as Hybrid Spiro-Heterocyclic Frameworks†.

Two structurally distinct and biologically privileged succinimide and isoindole heteroarenes bearing benzothiadiazinedioxide motif-centered hybrid conjugates are proficiently achieved through Rh(III)-catalyzed sequential C(sp)-H bond activation, -alkenylation and finally cascade intramolecular cyclization. The significant feature of this developed protocol is that the resulting diversely decorated heterocycles contain a quaternary carbon center and this has been coursed through atypical [4 + 1] annulation ignoring the prevalent [4 + 2]-cyclization pathway and interestingly the applied coupling partners (e.g.

Development of a nano-emulsion based multivalent protein subunit vaccine against .

(Pa) is an opportunistic bacterial pathogen responsible for severe hospital acquired infections in immunocompromised and elderly individuals. Emergence of increasingly drug resistant strains and the absence of a broad-spectrum prophylactic vaccine against both T3SA (type III secretion apparatus) and ExlA/T3SA Pa strains worsen the situation in a post-pandemic world. Thus, we formulated a candidate subunit vaccine (called ExlA/L-PaF/BECC/ME) against both Pa types.

ABDpred: Prediction of active antimicrobial compounds using supervised machine learning techniques.

Background Objectives: Discovery of new antibiotics is the need of the hour to treat infectious diseases. An ever-increasing repertoire of multidrug-resistant pathogens poses an imminent threat to human lives across the globe. However, the low success rate of the existing approaches and technologies for antibiotic discovery remains a major bottleneck.

Electrochemically Enabled C4-H and C3-H Functionalization of 2-Phenyl Quinazoline and Quinoxaline through Dehydrogenative C-H/C-H, C-H/P-H, and C-H/O-H Cross-Coupling.

Quinazoline moieties and particularly C4-substituted quinazoline scaffolds are widely distributed in biologically active molecules, and thus, direct C4-functionalization of quinazolines is the most convenient way to materialize new, straightforward, and sustainable strategies for the synthesis of useful medicinal targets. Retrospecting that, effort has been directed toward electrocatalytic C4-H bond diversification of quinazoline and related electron-deficient N-heterocycles (quinoxaline) offering C4 and C3 benzoyl-, acetyl-, phenol-, ether-, phosphonate-, and nitroalkane-incorporated N-heterocycles via a radical addition pathway under sacrificial oxidant- and additive-free conditions. Various coupling partners and quinazolines, as well as other structurally similar heterocyclic motifs, respond well, providing moderate to high yields of coupled products along with the gram-scale upgradation.

A protein subunit vaccine elicits a balanced immune response that protects against Pseudomonas pulmonary infection.

The opportunistic pathogen Pseudomonas aeruginosa (Pa) causes severe nosocomial infections, especially in immunocompromised individuals and the elderly. Increasing drug resistance, the absence of a licensed vaccine and increased hospitalizations due to SARS-CoV-2 have made Pa a major healthcare risk. To address this, we formulated a candidate subunit vaccine against Pa (L-PaF), by fusing the type III secretion system tip and translocator proteins with LTA1 in an oil-in-water emulsion (ME).

Correction: Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp)-O cross-coupling.

Correction for 'Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp)-O cross-coupling' by Rahul Dev Mandal , 2022, , 2939-2963, https://doi.org/10.1039/D2OB00381C.

Accessing oxy-functionalized N-heterocycles through rose bengal and TBHP integrated photoredox C(sp)-O cross-coupling.

Herein, we report a practical and simple mono- and di-C(sp)-O cross-coupling of tautomerizable N-heterocycles (dihydrophthalazine-1,4-diones, pyridone, quinoxalinone and pyrimidinone) with ketones, β-dicarbonyl compounds and nitroalkane, leading to substituted imidate derivatives under visible-light conditions. The combination of rose bengal as the photocatalyst and TBHP enables sustainable reaction conditions, operational simplicity, and high chemo- and regioselectivity with exceptional yields (up to 94%), good functional group tolerance and substrate generality. In the case of unsymmetrical ketones, the less substituted end is functionalized selectively.

Induction of expression through JNK and cGAS-STING modulates DNA damage-induced cytokine production.

Cytokine production is a critical component of cell-extrinsic responses to DNA damage and cellular senescence. Here, we demonstrated that expression of the gene encoding interleukin-19 (IL-19) was enhanced by DNA damage through pathways mediated by c-Jun amino-terminal kinase (JNK) and cGAS-STING and that expression was required for the subsequent production of the cytokines IL-1, IL-6, and IL-8. expression was stimulated by diverse cellular stresses, including inhibition of the DNA replication checkpoint kinase ATR (ataxia telangiectasia and Rad3-related protein), oncogene expression, replicative exhaustion, oxidative stress, and DNA double-strand breaks.

Artificial Intelligence in Surveillance, Diagnosis, Drug Discovery and Vaccine Development against COVID-19.

As of August 6th, 2021, the World Health Organization has notified 200.8 million laboratory-confirmed infections and 4.26 million deaths from COVID-19, making it the worst pandemic since the 1918 flu.

Tapping the immunological imprints to design chimeric SARS-CoV-2 vaccine for elderly population.

The impact of SARS-CoV-2 and COVID-19 disease susceptibility varies depending on the age and health status of an individual. Currently, there are more than 140 COVID-19 vaccines under development. However, the challenge will be to induce an effective immune response in the elderly population.

Identification of Growth Inhibitors of the Fish Pathogen Using Subtractive Proteomics, Computational Modeling, and Biochemical Validation.

Many Stramenopile species belonging to oomycetes from the genus infect fish, amphibians, and crustaceans in aquaculture farms and natural ecosystems. is one of the most severe fish pathogens, responsible for high losses in the aquaculture industry worldwide. Most of the molecules reported to date for the control of infections either are inefficient or have negative impacts on the health of the fish hosts or the environment resulting in substantial economic losses.

Deciphering the possible role of ctxB7 allele on higher production of cholera toxin by Haitian variant Vibrio cholerae O1.

Cholera continues to be an important public health concern in developing countries where proper hygiene and sanitation are compromised. This severe diarrheal disease is caused by the Gram-negative pathogen Vibrio cholerae belonging to serogroups O1 and O139. Cholera toxin (CT) is the prime virulence factor and is directly responsible for the disease manifestation.

A Point Mutation in Is Involved in the Emergence of Polymyxin B-Sensitive Vibrio cholerae O1 El Tor Biotype by Influencing Gene Transcription.

Antimicrobial peptides play an important role in host defense against Generally, the O1 classical biotype is polymyxin B (PB) sensitive and El Tor is relatively resistant. Detection of classical biotype traits like the production of classical cholera toxin and PB sensitivity in El Tor strains has been reported in recent years, including in the devastating Yemen cholera outbreak during 2016-2018. To investigate the factor(s) responsible for the shift in the trend of sensitivity to PB, we studied the two-component system encoded by , regulating the lipid A modification of El Tor vibrios, and found that only contains a single nucleotide polymorphism (SNP) in recently emerged PB-sensitive strains.

Anthocyanin rich extract of Brassica oleracea L. alleviates experimentally induced myocardial infarction.

Cardioprotective potential of anthocyanin rich red cabbage extract (ARCE) was assessed in H2O2 treated rat neonatal cardiomyoblasts (H9c2 cells) and isoproterenol (ISO) induced rodent model of myocardial infarction. H2O2 treated H9c2 cells recorded cytotoxicity (48-50%) and apoptosis (57.3%), the same were reduced in presence of ARCE (7-10% & 12.

Antiproliferative and Proapoptotic Activities of Marine Sponge Extract on Breast Carcinoma Cell Line (MCF-7).

Background: Marine sponge is a rich natural resource of many pharmacologically important compounds.

Objective: Marine sponge , collected from North Bay, South Andaman Sea, India, was screened for potential antiproliferative and proapoptotic properties on a breast adenocarcinoma cell line (MCF-7).

Materials And Methods: 3-(4,5-Dimethylthiazol-2-yl)-2,5-diphenyltetrazolium bromide assay was used to test the antiproliferative and cytotoxicity effects of the sponge extract.

In silico prediction of drug resistance due to S247R mutation of Influenza H1N1 neuraminidase protein.

We present here in silico studies on antiviral drug resistance due to a novel mutation of influenza A/H1N1 neuraminidase (NA) protein. Influenza A/H1N1 virus was responsible for a recent pandemic and is currently circulating among the seasonal influenza strains. M2 and NA are the two major viral proteins related to pathogenesis in humans and have been targeted for drug designing.

Ribavirin suppresses bacterial virulence by targeting LysR-type transcriptional regulators.

Targeting bacterial virulence mechanisms without compromising bacterial growth is a promising strategy to prevent drug resistance. LysR-type transcriptional regulators (LTTRs) possess structural conservation across bacterial species and regulate virulence in numerous pathogens, making them attractive targets for antimicrobial agents. We targeted AphB, a Vibrio cholerae LTTR, which regulates the expression of genes encoding cholera toxin and toxin-co-regulated pilus for inhibitor designing.

Phylogenetic and Structural Analysis of Polyketide Synthases in Aspergilli.

Polyketide synthases (PKSs) of Aspergillus species are multidomain and multifunctional megaenzymes that play an important role in the synthesis of diverse polyketide compounds. Putative PKS protein sequences from Aspergillus species representing medically, agriculturally, and industrially important Aspergillus species were chosen and screened for in silico studies. Six candidate Aspergillus species, Aspergillus fumigatus Af293, Aspergillus flavus NRRL3357, Aspergillus niger CBS 513.

Purification, Cloning and Immuno-Biochemical Characterization of a Fungal Aspartic Protease Allergen Rhi o 1 from the Airborne Mold Rhizopus oryzae.

Background: Fungal allergy is considered as serious health problem worldwide and is increasing at an alarming rate in the industrialized areas. Rhizopus oyzae is a ubiquitously present airborne pathogenic mold and an important source of inhalant allergens for the atopic population of India. Here, we report the biochemical and immunological features of its 44 kDa sero-reactive aspartic protease allergen, which is given the official designation 'Rhi o 1'.