Journal ArticleDOI
New Coumarin-Pyrazole hybrids: Synthesis, Docking studies and Biological evaluation as potential cholinesterase inhibitors
Amina Benazzouz-Touami,xiang zheng,Amina Chouh,Sabrina Halit,Souhila Terrachet-Bouaziz,Malika Makhloufi-Chebli,Karima Ighil-Ahriz,Artur M. S. Silva +7 more
TLDR
In vitro studies showed that compounds 3e and 3f were the most effective showing high potential AChE inhibitory activities with respective IC50 values, and in silico predictions of toxicity analysis indicated that these compounds should have good oral bioavailability.About:
This article is published in Journal of Molecular Structure.The article was published on 2022-02-05. It has received 13 citations till now. The article focuses on the topics: Chemistry & Butyrylcholinesterase.read more
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Design, synthesis, in vitro anticancer and antimicrobial evaluation, SAR analysis, molecular docking and dynamic simulation of new pyrazoles, triazoles and pyridazines based isoxazole
Hyam A. Radwan,Iqrar Ahmad,Ismail M.M. Othman,Mohamed A. M. Gad-Elkareem,Harun M. Patel,Kais Aouadi,Mejdi Snoussi,Adel Kadri +7 more
TL;DR: In this article , a series of pyrazoles, triazoles and pyridazines based isoxazole were synthesized, and well characterized, and the properties of these compounds were evaluated.
Journal ArticleDOI
“Pyrazolo-Imidazolidinones: Synthesis, Antimicrobial Assessment and Molecular Modelling Studies by Molecular Mechanic and Quantum Mechanic Approach”
Nisheeth C. Desai,Surbhi B. Joshi,Ashvinkumar G. Khasiya,Dharmpalsinh J. Jadeja,H K Mehta,Medha Pandya,Iqrar Ahmad,Harun M. Patel +7 more
TL;DR: In this paper , a set of fifteen pyrazole-imidazolidinone hybrids were synthesized and tested for antimicrobial activity, and the results showed that the compounds 4f with MIC (Minimum Inhibitory Concentration) 12.5 μg/mL against A. clavatus and 4l with MIC 12.6 μg /mL against P. aeruginosa were the most active compared to the standard drugs.
Journal ArticleDOI
Diverse and efficient catalytic applications of new cockscomb flower-like Fe3O4@SiO2@KCC-1@MPTMS@CuII mesoporous nanocomposite in the environmentally benign reduction and reductive acetylation of nitroarenes and one-pot synthesis of some coumarin compounds
TL;DR: In this paper , a new cockscomb flower-like mesoporous nanocomposite was prepared and characterized by various techniques including Fourier transform infrared (FT-IR) spectroscopy, powder X-ray diffraction (PXRD), scanning electron microscopy (SEM), SEM-based energy-dispersive X -ray (EDX) spectrography, inductively coupled plasma-optical emission spectrometry (ICP-OES), thermogravimetric analysis/differential thermal analysis (TGA/DTA), vibrating sample magnetometry (VSM), UV-Vis spectroscope, and Brunauer-Emmett-Teller (BET) and Barrett-Joyner-Halenda (BJH) analyses.
Journal ArticleDOI
Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties
Nehmedo G. Fawazy,Siva S. Panda,Ahmed Mostafa,Benson M. Kariuki,Mohamed S. Bekheit,Yassmin Moatasim,Omnia Kutkat,Walid Fayad,May A. El-Manawaty,Ahmed A. Soliman,Riham A. El-Shiekh,Aladdin M. Srour,Reham F. Barghash,Adel S. Girgis +13 more
TL;DR: In this paper , a series of 1-alkylsulfonyl dispiro[indoline-3,2'-pyrrolidine-3',3″-piperidine]-2,4″-diones 6a'o has been synthesized through regioselective multi-component azomethine dipolar cycloaddition reaction of 1-(alkyl sulfonyls)-3,5-bis(ylidene)-piperidin-4-ones 3a'h. X-ray diffraction studies (6b'd,h) confirmed the structures.
Journal ArticleDOI
Development of spiro-3-indolin-2-one containing compounds of antiproliferative and anti-SARS-CoV-2 properties
Nehmedo G. Fawazy,Siva S. Panda,Ahmed Mostafa,Benson M. Kariuki,Mohamed S. Bekheit,Yassmin Moatasim,Omnia Kutkat,Walid Fayad,May A. El-Manawaty,Ahmed A. Soliman,Riham A. El-Shiekh,Aladdin M. Srour,Reham F. Barghash,Adel S. Girgis +13 more
TL;DR: In this article , a series of 1-alkylsulfonyl dispiro[indoline-3,2'-pyrrolidine-3',3″-piperidine]-2,4″-diones 6a'o has been synthesized through regioselective multi-component azomethine dipolar cycloaddition reaction of 1-(alkyl sulfonyls)-3,5-bis(ylidene)-piperidin-4-ones 3a'h. X-ray diffraction studies (6b'd,h) confirmed the structures.
References
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Journal ArticleDOI
A computational investigation on the structure, global parameters and antioxidant capacity of a polyphenol, Gallic acid
TL;DR: A computational DFT-B3LYP structural analysis of a poly phenol, Gallic acid has been performed by using 6-311++ G (df, p) basis set and reveals that the most stable radical is formed at O3-atom upon scavenging the free radicals.
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Carbonic anhydrase and acetylcholinesterase inhibitory effects of carbamates and sulfamoylcarbamates.
TL;DR: Results showed that both CA isoenzymes and AChE were inhibited by carbamate derivatives at the nM levels, which is very good inhibitor against for both isoenZymes (hCA I and hCA II) and A ChE.
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Theoretical study on the structural and antioxidant properties of some recently synthesised 2,4,5-trimethoxy chalcones.
TL;DR: The results obtained demonstrate that HAT would be the most favourable mechanism in the gas and benzene phases, whereas the SPLET mechanism is the thermodynamically preferred pathway in polar media.
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Synthesis and biological evaluation of some pyrazolylpyrazolines as anti-inflammatory-antimicrobial agents.
Pawan K. Sharma,Satish Kumar,Pawan Kumar,Pawan Kaushik,Dhirender Kaushik,Yogita Dhingra,Kamal Rai Aneja +6 more
TL;DR: A new series of pyrazolylpyrazolines synthesized by the reaction of appropriate chalcones with 4-hydrazinobenzenesulfonamide hydrochloride in ethanol showed good broad spectrum activity against all the tested Gram-positive and Gram-negative bacterial strains.
Journal ArticleDOI
Synthesis, molecular docking, acetylcholinesterase and butyrylcholinesterase inhibitory potential of thiazole analogs as new inhibitors for Alzheimer disease.
Fazal Rahim,Muhammad Tariq Javed,Hayat Ullah,Abdul Wadood,Muhammad Taha,Muhammad Ashraf,Qurat-ul-Ain,Muhammad Anas Khan,Fahad Khan,Salma Mirza,Khalid Mohammed Khan +10 more
TL;DR: A series of thirty thiazole analogs were prepared, characterized by (1)H NMR, (13)C NMR and EI-MS and evaluated for Acetylcholinesterase and butyrylcholiersterase inhibitory potential, and exhibited well to moderate enzyme inhibition.