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- Volume 20, Issue 4, 2023
Letters in Organic Chemistry - Volume 20, Issue 4, 2023
Volume 20, Issue 4, 2023
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N-Heterocycles as Privileged Scaffolds in FDA Approved Different NMEs of 2021: A Review
Authors: Faryal Chaudhry, Rubina Munir and Nayab MalikThe presence of N-heterocyclic ring systems as promising features in the molecular skeleton of FDA-approved drugs, underlie the remarkable contributions of these heterocyclic nuclei in the field of medicine. Despite instability risks associated with the COVID pandemic, the US FDA approved 50 drugs (36 NMEs and 14 biological products) in the year 2021. The active ingredients of 32 drugs out of these 36 NMEs (alm Read More
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In silico Molecular Modelling and Docking Studies on Kinase Inhibitors as Potential Anti-Cancer Target in HER2-associated Breast Cancer
Authors: Binni Gupta, Apoorv Tiwari, Gohar Taj, Neeraj Pal, Rashmi Malik and Sundip KumarBreast cancer is one of the most frequent invasive malignancies in women globally and the leading cause of mortality. The HER2 target is an important therapeutic option for treating breast cancer. In the present study, efforts have been made to virtually screen the natural kinase inhibitors through molecular docking. A total of 800 HER2 protein inhibitor compounds were selected to screen out the potential inhibitor Read More
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A Combined Experimental and Theoretical DFT (B3LYP and CAMB3LYP) Study on Spectral Features (FT-IR, NMR, and UV-Visible), First-order Hyperpolarizability, NBO and HOMO-LUMO Analysis of 4-(dimethylamino)-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one
Authors: Shaheen Fatma, Sonam Rai, Poornima Devi and Abha BishnoiThe pyrazolone subordinate, aminopyrine, has been broken down tentatively and hypothetically for its vibrational frequencies. The chemical shift values and symphonious vibrational frequencies as obtained at B3LYP/CAM-B3LYP/6-31G after employing proper scaling techniques appear to match acceptably with the test perceptions. The hypothetical spectrograms for NMR, FT-IR and UV spectra of aminopyrine have been lik Read More
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Synthesis, Antifungal Evaluation of 3-[{(1-aminomethyl) -5,7-dimethyl-2- oxoindolin-3-ylidene} amino]-2-phenylquinazolin-4(3H)-ones and their NLO, MESP, Global Reactivity Descriptor, and AIM Study through DFT Approach
A series of fused 3-[{(1-aminomethyl)-5,7-dimethyl-2-oxoindolin-3-ylidene}amino]-2- phenylquinazolin-4(3H)-ones 4(i-ix) has been designed and synthesized by the condensation reaction between 3-amino -2-phenylquinazolin-4(3H)-one and 5,7-dimethylindolin-2,3-dione, followed by aminomethylation with secondary amines in the presence of formaldehyde and were also screened for their antifungal potential against Read More
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Synthesis, Spectral Characterization, In silico Docking and ADME Prediction and Biological Evaluation of Novel Piperidin-4-one Derivatives
Authors: Muthuvel R. Ezhilarasi and Mannathusamy GopalakrishnanA novel series of 2, 6-diaryl-3-(4-methylpiperazin-1-yl) piperidin-4-one (2a-2f) derivatives was synthesized. All the synthesized compounds were characterized by FT-IR, NMR, Mass spectrum, and CHN analysis. NMR spectral analyses were performed unambiguously by their one-dimensional (1H NMR and 13C NMR) and two-dimensional (1H-1H COSY and 1H-13C HSQC) NMR. From the NMR spectral data, the compounds (2a-2f Read More
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Adsorption of Diethylstilbestrol Drug into BNNT: DFT/TD-DFT and Spectroscopic (Excited States, UV/Vis and NMR) Studies
More LessBackground: Cancer has become a significant universal health problem. Anticancer drugs control the chemicals that sacrifice cancer cells by inhibiting their growth in their cell cycle. Interestingly, as much as boron nitride nanosheets and boron nitride nanotubes are degradable and non-toxic, they can act as suitable drug carriers for antitumor drugs and deliver them into target cells. Objective: In the present study, the e Read More
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Green and Ultrasound-Assisted Synthesis of 1,3-Diaryl-2-Propenones Catalyzed by Amberlyte IRA-410 and Amberlyte IRA-400 basic Resins
Authors: Nihel Masmoudi and Manef ChtourouThis research paper presents a green, safe and easy synthesis of trans-chalcones under ultrasound irradiation in the presence of anionic resins. Several trans-Chalcones have been obtained following an environmentally friendly methodology using Amberlyte IRA-410 and Amberlyte IRA-400 resins as heterogeneous and efficient catalysts. The products of the condensation reaction were generally synthesized in good yields an Read More
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Folic Acid Promoted the Coupling Reaction of Epoxides and CO2
Authors: Mengliang Chai, Fengtian Wu and Ling WuThe process of hydrogen bond donor accelerating the cycloaddition of epoxides with CO2 is green access to high economic value cyclocarbonate derivatives. However, hydrogen bond donor still has certain limitations such as poor biocompatibility and narrow substrate scope. Our group found that folic acid could promote the coupling reaction of epoxides and CO2 through hydrogen-bonding. The reaction was used to synthesize Read More
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A New Dinuclear Copper(II)-Hydrazone Complex: Synthesis, Crystal Structure and Antibacterial Activity
Authors: Sevda ER, Hakan -nver and Gökhan DikmenIncreasing microbial resistance has become a threatening situation for humanity. Therefore, new active antimicrobial compounds are needed to be synthesized. Copper complexes, one of these types of biologically active compounds, appear as compounds with a wide range of biological uses. Many scientific investigations have shown that copper complexes have antibacterial, antimalarial, anti- inflammatory, and anticancer ac Read More
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Volumes & issues
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Volume 22 (2025)
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Volume 21 (2024)
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Volume 20 (2023)
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Volume 19 (2022)
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Volume 18 (2021)
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Volume 17 (2020)
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Volume 16 (2019)
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Volume 15 (2018)
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Volume 14 (2017)
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Volume 13 (2016)
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Volume 12 (2015)
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Volume 11 (2014)
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Volume 10 (2013)
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Volume 9 (2012)
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Volume 8 (2011)
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Volume 7 (2010)
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Volume 6 (2009)
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Volume 5 (2008)
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Volume 4 (2007)
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Volume 3 (2006)
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Volume 2 (2005)
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Volume 1 (2004)
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