A visible-light-mediated hydrotrifluoromethylation of unactivated alkenes that uses the Umemoto reagent as CF(3) source and MeOH reductant is disclosed. This effective transformation operates at room temperature in presence 5 mol % Ru(bpy)(3)Cl(2); process characterized by its operational simplicity functional group tolerance.

Abstract We report that halogenophilic silver(I) triflate permits halogen exchange (halex) nucleophilic 18 F‐fluorination of aryl‐OCHFCl, ‐OCF 2 Br and ‐SCF precursors under mild conditions. This Ag I ‐mediated process allows for the first time access to a range F‐labeled aryl‐OCHF , 3 derivatives, inclusive [ F]riluzole. The F‐labeling these medicinally important motifs expands radiochemical space available PET applications.

The 18F-labeling of 5-(trifluoromethyl)-dibenzothiophenium trifluoromethanesulfonate, commonly referred to as the Umemoto reagent, has been accomplished applying a halogen exchange 18F-fluorination with 18F-fluoride, followed by oxidative cyclization Oxone and trifluoromethanesulfonic anhydride. This new 18F-reagent allows for direct chemoselective unmodified peptides at thiol cysteine residue.

This paper describes a new catalytic method for the regio- and stereocontrolled fluorination of allylic carbonates. transformation uses TBAF·4tBuOH as fluoride source [Ir(COD)Cl]2 catalyst; most commonly used [Ir(COD)Cl]2/phosphoramidite system is ineffective. Synthetically, this reaction characterized by high degree structural conservation in going from substrates to products. The (E)-allylic carbonates leading linear fluorides (l : b > 20 1, E Z 1) unprecedented unique feature nucleophile....

Abstract The prevalence of HIV-1 infection continues to pose a significant global public health issue, highlighting the need for antiretroviral drugs that target viral proteins reduce replication. One such is protease (PR), responsible cleaving polyproteins, leading maturation proteins. While darunavir (DRV) potent PR inhibitor, drug resistance can arise due mutations in PR. To address this we developed novel approach using fragment molecular orbital (FMO) method and structure-based design...

Abstract In the pursuit of novel antiretroviral therapies for human immunodeficiency virus type‐1 (HIV‐1) proteases (PRs), recent improvements in drug discovery have embraced machine learning (ML) techniques to guide design process. This study employs ensemble models identify crucial substructures as significant features development. Using molecular docking techniques, a collection 160 darunavir (DRV) analogs was designed based on these key and subsequently screened using techniques....

We report the stereoselective and metal-free trifluoromethylation of alkenes followed by <italic>S</italic>-cyclization using thiourea as S-source SET initiator.

Abstract Flavone has recently been proved as a promising scaffold for the development of novel drug against dengue fever, one major health threats globally. However, structure–activity relationship study flavones on anti-dengue activity remains mostly limited to natural-occuring analogs. Herein, 27 flavone analogs were successfully synthesized, which 5 ( 5e , 5h 5o 5q and 5r ) novel. In total, 33 bearing diverse range substituents evaluated their efficacy DENV2-infected LLC/MK2 cells. The...

We report the synthesis of [¹⁸F]arylCF₃ and [¹⁸F]arylCHF₂ derivatives from arylCF₂Br arylCHFCl precursors applying a silver-mediated halogen exchange with [¹⁸F]fluoride. In absence Ag(I)OTf, no reaction takes place at room temperature for both classes substrates; this result demonstrates beneficial role silver(I) as means to induce ¹⁸F-incorporation under very mild conditions.

The cover feature represents the beauty of interconnectedness amid diversity. variation each part shows that it may look random at first, but connectivity every fragment reveals a pattern union its pieces showing no matter different things are, there is an exceptional force binding us together. This concept holds true in diversifying benzofuropyridine moiety using functionality resulting into more comprehensive understanding substitution patterns. More details can be found article...

Abstract We report that halogenophilic silver(I) triflate permits halogen exchange (halex) nucleophilic 18 F‐fluorination of aryl‐OCHFCl, ‐OCF 2 Br and ‐SCF precursors under mild conditions. This Ag I ‐mediated process allows for the first time access to a range F‐labeled aryl‐OCHF , 3 derivatives, inclusive [ F]riluzole. The F‐labeling these medicinally important motifs expands radiochemical space available PET applications.

Alkyl quinolone has been proven to be a privileged scaffold in the antimicrobial drug discovery pipeline. In this study, series of new 4-hydroxy-2-quinolinone analogs containing long alkyl side chain at C-3 and broad range substituents on C-6 C-7 positions were synthesized. The antibacterial antifungal activities these against Staphylococcus aureus, Escherichia coli, Aspergillus flavus investigated. structure-activity relationship study revealed that length chain, as well type substituent,...

Abstract Psoralen derivatives are well known for their unique phototoxicity and also exhibits promising anti-breast cancer activity both in the presence absence of UVA irradiation. However, structure–activity relationship on this scaffold remains lacking. Herein, a series psoralen with various C-5 substituents were synthesized evaluated vitro dark light-activated cytotoxicity against three breast cell lines: MDA-MB-231, T47-D, SK-BR-3. The type dramatically impacted activity, 4-bromobenzyl...

In this work, we describe the 18F-labeling of α,α-difluoro-α-(aryloxy)acetic acid derivatives and demonstrate that these building blocks are amenable to post-18F-fluorination functionalization. Protodecarboxylation offers a new entry 18F-difluoromethoxyarene, value approach is further demonstrated with coupling processes leading representative 18F-labeled TRPV1 inhibitors antagonists.

Twelve derivatives of biguanide-derived 1,3,5-triazines, a promising class anticancer agent, were synthesised and evaluated for their activity against two colorectal cancer cell lines—HCT116 SW620. 2c 3c which are the containing o-hydroxyphenyl substituents exhibited highest with IC50 both lines in range 20–27 µM, is comparable to cisplatin reference. Moreover, potential use calcium citrate nanoparticles (CaCit NPs) as platform drug delivery system was studied on selected 1,3,5-triazine...

ABSTRACT Background Although the levels of intact parathyroid hormone (iPTH) are well‐controlled following Kidney Disease Outcomes Quality Initiative guideline, incidence osteoporosis and fracture still high in haemodialysis (HD) patients. This study was conducted to investigate correlation between bone turnover markers, mineral density (BMD), histomorphometry HD Methods Twenty‐two chronic patients were enrolled. Serum markers measured. Double tetracycline‐labelled iliac crest specimens...

This work investigates the electrochemical oxidation of melatonin at boron-doped diamond electrodes and demonstrates significant enhancement in detection using highly nanopowder (h-BDD). Employing differential pulse voltammetry, Tween-coated h-BDD modified screen-printed (Tween/h-BDD/SPE) showed two linear response ranges for melatonin: 0.057–10 10–200 μM, with sensitivities 390 ± 36 72.2 3.4 μA mM –1 , respectively, a limit (3S b /m) 0.017 μM. The Tween/h-BDD/SPE demonstrated good...

A flavonoid is a versatile core structure with various cellular, immunological, and pharmacological effects. Recently, flavones have shown anti-dengue activities by interfering viral translation replication. However, the molecular target still elusive. Here we chemically modified apigenin adding an alkyne moiety into B-ring hydroxyl group. The serves as chemical tag for alkyne-azide cycloaddition reaction subcellular visualization. compound located at perinuclear region 1 6 h after...

Abstract A mild electrochemical oxidative cyclization for the synthesis of flavones from easy‐access 2’‐hydroxychalcones was developed using an inexpensive NaI as mediator and electrolyte under ambient temperature in a mixture EtOH H 2 O solvent. This method successfully applied to synthesize 26 examples variety functionalized 2’‐hydroxychalcones. gram‐scale formal bioactive scutellarein demonstrated. Control experiments were conducted disclose possible indirect oxidation via situ generation...

Chikungunya virus is a re-emerging arbovirus that has caused epidemic outbreaks in recent decades. Patients older age groups with high viral load and severe immunologic response during acute infection are likely to develop chronic arthritis joint pain. Currently, no antiviral drug available. Previous studies suggested flavone derivative, 8-bromobaicalein, was potential dengue Zika replication inhibitor cell-based system targeting flaviviral polymerase. Here we characterized 8-bromobaicalein...

In this work, the preparation of novel calcium citrate (CaCit) nanoparticles (NPs) has been disclosed and use these NPs as "Trojan" carriers demonstrated. The concentration ratio between ions was optimized, yielding spherical with size in range 100-200 nm. Additionally, a fluorescent dye, fluorescein isothiocyanate (FITC), successfully encapsulated by coprecipitation method. products were characterized thermogravimetric analysis scanning electron microscopy. cellular uptake investigated...

Abstract Bioassay‐guided fractionation was conducted on dichloromethane extract from the rhizomes of Globba schomburgkii Hook.f., which have previously been reported as part with highest antibacterial activity. 10 fractions and 20 sub‐fractions were obtained evaluated for their potency against various strains bacteria. The most active 8 times more effective Staphylococcus aureus Micrococcus luteus than original crude extract. Moreover, two pure compounds, namely petasol ( E...

Globba schomburgkii Hook.f. is an ornamental plant that has recently found increasing demand as cut flowers, hence generating a significant number of by-products from different parts the plant. To investigate further applications these by-products, twelve crude extracts rhizomes, stalks, leaves, and flowers were prepared by serial exhaustive extraction. The volatile composition was analyzed GC/MS; total 89 compounds identified, most which sesquiterpenes well some labdane-type diterpenes....