An SAR Study on a Class of 6-(Trifluoromethyl)-pyridine Derivatives as RORγt Inverse Agonists DOI

Yi-Yuan Ma,

Yuhao Cao,

Li-Jin Yang

и другие.

Letters in Drug Design & Discovery, Год журнала: 2023, Номер 21(12), С. 2359 - 2373

Опубликована: Сен. 26, 2023

Background: The nuclear retinoic acid-related orphan receptor γt (RORγt) is an important transcription factor in immune cells. Functionally, RORγt plays role promoting the differentiation of T helper 17 cells and regulating expression proinflammatory factors, such as interleukin 17. Therefore, considered a promising target for treatment autoimmune disorder. Currently, 21 inverse agonists with various scaffolds have entered clinical trials. Objective: To discover novel potent agonists, series 6-(trifluoromethyl) pyridine derivatives were designed synthesized. Methods: We synthesized W1~W16 based on VTP-43742. Molecular docking, molecular dynamics (MD) simulation, MM/GBSA used to study structure-activity relationship (SAR) derivatives. Results: biological activity evaluation indicated that compounds showed inhibitory activity. most active compound, W14, exhibited low nanomolar (IC50 = 7.5 nM) luciferase reporter assay, which was superior compound Analysis binding mode W14 demonstrated interaction -CF3 Leu324, Leu396, His479 has contribution binding. Furthermore, broke H-bond formed by Tyr502 via “push-pull” mechanism. Conclusion: Compound could be potential agonist further modification.

Язык: Английский

Recent Advances in the Application of 2‐Aminobenzothiazole to the Multicomponent Synthesis of Heterocycles DOI Creative Commons
Ramin Javahershenas, Jianlin Han, Mosstafa Kazemi

и другие.

ChemistryOpen, Год журнала: 2024, Номер unknown

Опубликована: Сен. 9, 2024

Abstract Heterocycles are a vital class of compounds in numerous fields, including drug discovery, agriculture, and materials science. Efficient methods for the synthesis heterocycles remain critical meeting demands these industries. Recent advances multicomponent reactions (MCRs) utilizing 2‐aminobenzothiazole (ABT) have shown promising results formation heterocycles. The versatility this context has enabled rapid efficient construction diverse heterocyclic structures. Various synthetic methodologies involving discussed, highlighting its importance as valuable building block complex potential applications discovery material science also explored. Overall, review provides comprehensive overview current state research field offers insights into future directions area study. We highlight ABT versatile sustainable starting via MCRs, with significant implications chemical industry.

Язык: Английский

Процитировано

25

Efficient Single‐Pot Synthesis of Thiazole Derivatives: A Synoptic View DOI

N Ramyashree,

Lokesh Kumar S,

Sumaiya Tabassum

и другие.

ChemistrySelect, Год журнала: 2025, Номер 10(7)

Опубликована: Фев. 1, 2025

Abstract In recent years, heterocyclic compounds have gained significant interest due to their tremendous application in the medicinal, optical, and biological fields. Among them, thiazole is an important heterocycle containing nitrogen‐ sulfur‐ ring, which stands out as best for its pharmacological activity. One of routes synthesize these molecules through multicomponent reactions. Being a sustainable methodology, it gives insights into generating extensive range biologically active molecules. This review focuses on significance three‐component four‐component syntheses under various conditions from year 2000 late 2024, are particularly ability produce derivatives with good yields.

Язык: Английский

Процитировано

1

Modified eco‐friendly and biodegradable chitosan‐based sustainable semiconducting thin films DOI Creative Commons
S. Lokesh Kumar,

Anushka Servesh,

V. R. Sunitha

и другие.

Polymers for Advanced Technologies, Год журнала: 2024, Номер 35(6)

Опубликована: Июнь 1, 2024

Abstract Semiconducting materials are pivotal in various fields, such as solar cells, LEDs, photovoltaic etc. A nature‐friendly chitosan is a good film‐forming, water‐soluble polymer that modified to small band‐gap for optoelectronic applications. Choline chloride:ethylene glycol:glycerin (1:1:1) deep eutectic solvent (DES)‐modified activated carbon incorporated into the matric and this composite fabricated thin films via spin coating methodology. The obtained subjected multiple studies scanning electron microscopy (SEM), X‐ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), impedance spectroscopy, UV–vis perceive thin‐films microstructure, morphology, conductance, band gap, optical nature. integration of DES‐modified has significantly improved charge transfer capacity by reducing gap from 4.0 2.0 eV. These notable characteristics exhibited can be key sustainable semiconducting have potential several

Язык: Английский

Процитировано

8

Recent advances in polyethylene glycol as a dual‐functional agent in heterocycle synthesis: Solvent and catalyst DOI Creative Commons

Anushka Servesh,

S. Lokesh Kumar, Santhosh Govindaraju

и другие.

Polymers for Advanced Technologies, Год журнала: 2024, Номер 35(6)

Опубликована: Май 29, 2024

Abstract Reactant solubility, which dictates achievable concentrations, and the stability of reaction intermediates (excited states), solvents modulate potential energy landscape influence rates. Consequently, solvent selection is pivotal in optimizing process productivity, economic feasibility, environmental footprint. At present, organic synthesis pivots around idea sustainability. In particular, PEG‐400, a popular phase transfer catalyst, considered greener as it can be reused several times without significant loss its catalytic activity, checks box regarding This review highlights emerging Polyethylene Glycol 400 (PEG‐400) dual‐threat agent sustainable synthesis. We explore efficacy promoting various reactions under mild conditions often eliminating need for traditional metal catalysts. Additionally, PEG‐400's role green addressed, emphasizing biodegradability, low toxicity, ability to facilitate hazardous Volatile Organic Compounds (VOCs). The examines recent research on PEG‐400 mediated reactions, showcasing effectiveness diverse transformations, thus exploring PEG facilitator heterocycle both multicomponent stepwise approaches. It identifies exciting directions that promise expand boundaries polymer‐based heterocyclic chemistry.

Язык: Английский

Процитировано

6

Elevating pyrrole derivative synthesis: a three-component revolution DOI

Lokesh Kumar S,

Anushka Servesh,

Sony J. Chundattu

и другие.

Molecular Diversity, Год журнала: 2024, Номер unknown

Опубликована: Май 21, 2024

Язык: Английский

Процитировано

5

Synergistic fabrication, characterization, and prospective optoelectronic applications of DES grafted activated charcoal dispersed PVA films DOI Creative Commons
S. Lokesh Kumar, C.J. Binish, J. Rajprasad

и другие.

Polymers for Advanced Technologies, Год журнала: 2024, Номер 35(5)

Опубликована: Май 1, 2024

Abstract This study investigates the synthesis, analysis, and utility of films comprising deep eutectic solvent (DES) grafted activated charcoal (AC) within a polyvinyl alcohol (PVA) matrix for optoelectronic device applications. The fabrication process involves dispersion DES functionalization AC into PVA solution, followed by casting onto substrates with controlled drying. Comprehensive characterization encompassing X‐ray diffraction (XRD), scanning electron microscopy (SEM), UV–vis spectroscopy, Fourier‐transform infrared spectroscopy (FTIR), impedance which discerns microstructure, morphology, conductance, band‐gap, optical traits. infusion variable concentration has significantly influenced absorbance reduced band gap indicating efficient charge mobility. Furthermore, analysis revealed electrical conduction film to be 1.8 × 10 −6 Ω −1 m . In summary, modified in have converted insulating semiconducting polymeric band‐gap increased absorption, present propitious avenue wide array devices, such as thin transistors, photovoltaics, LEDs, photodetectors, many

Язык: Английский

Процитировано

4

L-proline-Brønsted acid deep eutectic mixture (DEM) triggered consecutive Claisen–Schmidt and Michael addition reactions DOI

Hiren R. Chaudhary,

Palak J. Patel,

Vivek K. Gupta

и другие.

Research on Chemical Intermediates, Год журнала: 2024, Номер 50(3), С. 1273 - 1286

Опубликована: Янв. 27, 2024

Язык: Английский

Процитировано

3

Blue LED photolytic method for the synthesis of 1,4-dihydropyridine derivatives from benzo [b]thiophene-2-carbaldehyde DOI Creative Commons

Anushka Servesh,

Sankar Ganesh Ramaraj, J. Rajprasad

и другие.

Chemical Engineering and Processing - Process Intensification, Год журнала: 2025, Номер unknown, С. 110205 - 110205

Опубликована: Фев. 1, 2025

Язык: Английский

Процитировано

0

A Diversity‐Oriented Multicomponent Approach to Novel Fused Nitrogen Heterocycles Using 6‐Aminoindazole DOI

Hiren R. Chaudhary,

Vivek K. Gupta,

Divyang M. Patel

и другие.

ChemistrySelect, Год журнала: 2025, Номер 10(14)

Опубликована: Апрель 1, 2025

Abstract We present a novel, efficient, eco‐friendly sonochemical strategy for the synthesis of fused nitrogen heterocycles via Brønsted acid‐promoted, one‐pot multicomponent reactions (MCRs). This method involves rapid assembly 6‐aminoindazole, aryl aldehydes, and 1,3‐cyclodione derivatives (barbituric acid, dimedone, 1,3‐dimethyl barbituric acid) under mild identical reaction conditions. The approach delivers diverse range highly functionalized heterocyclic frameworks, including 11‐phenyl‐1,6,7,11‐tetrahydro‐8 H ‐pyrazolo[3,4‐ f ]pyrimido[4,5‐ b ]quinoline‐8,10(9 )‐dione, 8,8‐dimethyl‐11‐phenyl‐1,6,7,8,9,11‐hexahydro‐10 ]acridin‐10‐one, 7,9‐diphenyl‐1,6,7,9‐tetrahydro‐2′ ‐spiro[pyrazolo[3,4‐ ]quinoline‐8,5′‐pyrimidine]‐2′,4′,6′(1′ ,3′ )‐trione derivatives. molecular structures these compounds were unambiguously confirmed through 1H‐NMR, 13C‐NMR single‐crystal X‐ray diffraction (SC‐XRD) analysis. Additionally, control experiments provided valuable mechanistic insights into pathway. protocol stands out its efficiency, high yields, broad functional group tolerance, making it versatile tool diversity‐oriented in modern chemistry.

Язык: Английский

Процитировано

0

Three-component p-TSA catalyzed synthesis of hydrazinyl thiazole derivatives DOI
S. Lokesh Kumar, Sony J. Chundattu, Santhosh Govindaraju

и другие.

Materials Today Proceedings, Год журнала: 2023, Номер 100, С. 182 - 187

Опубликована: Июнь 25, 2023

Язык: Английский

Процитировано

8