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  1. Article ; Online: Copper Catalyzed Synthesis of Heterocyclic Molecules via C-N and C-O Bond Formation under Microwaves: A Mini-Review.

    Jena, Sushovan / Chanda, Kaushik

    ACS omega

    2023  Volume 8, Issue 26, Page(s) 23240–23256

    Abstract: Heterocyclic moieties play a significant role in the field of drug discovery. C-N and C-O bond formation reactions are the primary synthetic sequence for the generation of heterocyclic molecules. The generation of C-N and C-O bonds involves the use of ... ...

    Abstract Heterocyclic moieties play a significant role in the field of drug discovery. C-N and C-O bond formation reactions are the primary synthetic sequence for the generation of heterocyclic molecules. The generation of C-N and C-O bonds involves the use of mostly Pd or Cu catalysts although other transition metal catalyst's are also involved. However, in C-N and C-O bond formation reactions, several problems were faced such as catalytic systems containing costly ligands, lack of substrate scope, lots of waste generation, and high temperature conditions. So it is imperative to uncover new eco-friendly synthetic strategies. In view of enormous drawbacks, it is important to develop an alternate microwave-assisted synthesis of heterocycles via C-N and C-O bond formation, which provides a short reaction time, tolerance for functional groups, and less waste production. Numerous chemical reactions have been accelerated using microwave irradiation which provides a cleaner reaction profile, lower energy consumption, and higher yields. This review article highlights a comprehensive overview on the potential application of microwave assisted synthetic routes for the synthesis of diverse heterocycles via mechanistic pathways covering the year ranges from 2014 to 2023, along with possible biological interests.
    Language English
    Publishing date 2023-06-20
    Publishing country United States
    Document type Journal Article ; Review
    ISSN 2470-1343
    ISSN (online) 2470-1343
    DOI 10.1021/acsomega.3c02041
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Article: Computationally approached inhibition potential of

    Jena, Sushovan / Munusami, Punnagai / Mm, Balamurali / Chanda, Kaushik

    Virusdisease

    2021  Volume 32, Issue 1, Page(s) 65–77

    Abstract: The recent emergence of novel coronavirus (SARS-CoV-2) has been a major threat to human society, as the challenge of finding suitable drug or vaccine is not met till date. With increasing morbidity and mortality, the need for novel drug candidates is ... ...

    Abstract The recent emergence of novel coronavirus (SARS-CoV-2) has been a major threat to human society, as the challenge of finding suitable drug or vaccine is not met till date. With increasing morbidity and mortality, the need for novel drug candidates is under great demand. The investigations are progressing towards COVID-19 therapeutics. Among the various strategies employed, the use of repurposed drugs is competing along with novel drug inventions. Based on the therapeutic significance, the chemical constituents from the extract of
    Supplementary information: The online version contains supplementary material available at 10.1007/s13337-021-00666-7.
    Language English
    Publishing date 2021-03-20
    Publishing country India
    Document type Journal Article
    ZDB-ID 2846993-8
    ISSN 2347-3517 ; 2347-3584
    ISSN (online) 2347-3517
    ISSN 2347-3584
    DOI 10.1007/s13337-021-00666-7
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  3. Article: Computationally approached inhibition potential of Tinospora cordifolia towards COVID-19 targets

    Jena, Sushovan / Munusami, Punnagai / MM, Balamurali / Chanda, Kaushik

    Virusdisease. 2021 Mar., v. 32, no. 1

    2021  

    Abstract: The recent emergence of novel coronavirus (SARS-CoV-2) has been a major threat to human society, as the challenge of finding suitable drug or vaccine is not met till date. With increasing morbidity and mortality, the need for novel drug candidates is ... ...

    Abstract The recent emergence of novel coronavirus (SARS-CoV-2) has been a major threat to human society, as the challenge of finding suitable drug or vaccine is not met till date. With increasing morbidity and mortality, the need for novel drug candidates is under great demand. The investigations are progressing towards COVID-19 therapeutics. Among the various strategies employed, the use of repurposed drugs is competing along with novel drug inventions. Based on the therapeutic significance, the chemical constituents from the extract of Tinospora cordifolia belonging to various classes like alkaloids, lignans, steroids and terpenoids are investigated as potential drug candidates for COVID-19. The inhibition potential of the proposed compounds against viral spike protein and human receptor ACE2 were evaluated by computational molecular modeling (Auto dock), along with their ADME/T properties. Prior to docking, the initial geometry of the compounds were optimized by Density functional theory (DFT) method employing B3LYP hybrid functional and 6–311 + + G (d,p) basis set. The results of molecular docking and ADME/T studies have revealed 6 constituents as potential drug candidates that can inhibit the binding of SARS-CoV-2 spike protein with the human receptor ACE2 protein. The narrowed down list of constituents from Tinospora cordifolia paved way for further tuning their ability to inhibit COVID-19 by modifying the chemical structures and by employing computational geometry optimization and docking methods.
    Keywords COVID-19 infection ; Severe acute respiratory syndrome coronavirus 2 ; Tinospora cordifolia ; density functional theory ; geometry ; humans ; lignans ; morbidity ; mortality ; terpenoids ; therapeutics ; vaccines
    Language English
    Dates of publication 2021-03
    Size p. 65-77.
    Publishing place Springer India
    Document type Article
    Note NAL-AP-2-clean
    ZDB-ID 2846993-8
    ISSN 2347-3517 ; 2347-3584
    ISSN (online) 2347-3517
    ISSN 2347-3584
    DOI 10.1007/s13337-021-00666-7
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  4. Article ; Online: Photophysical evaluation on the electronic properties of synthesized biologically significant pyrido fused imidazo[4,5-c]quinolines.

    Jena, Sushovan / Choudhury, Badruzzaman / Ahmad, Md Gulzar / Balamurali, M M / Chanda, Kaushik

    Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy

    2022  Volume 287, Issue Pt 2, Page(s) 122081

    Abstract: A single pot microwave assisted method was employed to synthesize a series of novel pyrido fused imidazo[4,5-c]quinolines. The electronic properties of these derivatives were investigated by following their photophysical behaviour under isolated and ... ...

    Abstract A single pot microwave assisted method was employed to synthesize a series of novel pyrido fused imidazo[4,5-c]quinolines. The electronic properties of these derivatives were investigated by following their photophysical behaviour under isolated and solvated conditions via computational and experimental approaches. The solvatochromic effect of these derivatives was investigated in the ground and excited singlet states by following the absorption and fluorescence emission and excitation spectra. Further the effect of general and specific solvent effects were also investigated by plotting Stokes shift against Lippert-Mataga, ET(30) and Kamlet-Taft polarity parameters respectively. The deviation from linearity in ET(30) plot indicates that formation of different species in polar protic solvents. The biological applications of these derivatives as potential drug candidates were evaluated by in silico computational methods followed by pharmacokinetic properties predictions. The ability of these derivatives to inhibit human casein kinase 2 (CK2) was evaluated. The structure activity relationships were correlated by evaluating the electronic properties through experimental photophysical investigations including solvatochromic effect and computational electronic structure calculations. Of the various derivatives, p-nitro phenyl substituted pyrido fused imidazo[4,5-c]quinoline exhibited good inhibitory activity against CK2 enzyme and hence could serve as a promising drug candidate.
    MeSH term(s) Humans ; Spectrometry, Fluorescence ; Solvents/chemistry ; Chemical Phenomena ; Quinolines/pharmacology ; Electronics
    Chemical Substances Solvents ; Quinolines
    Language English
    Publishing date 2022-11-09
    Publishing country England
    Document type Journal Article
    ZDB-ID 210413-1
    ISSN 1873-3557 ; 0370-8322 ; 0584-8539 ; 1386-1425
    ISSN (online) 1873-3557
    ISSN 0370-8322 ; 0584-8539 ; 1386-1425
    DOI 10.1016/j.saa.2022.122081
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    In stock of ZB MED Bonn / Germany

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  5. Article: Green synthesis of biologically active heterocycles of medicinal importance: a review

    Nishanth Rao, R. / Jena, Sushovan / Mukherjee, Manjima / Maiti, Barnali / Chanda, Kaushik

    Environmental chemistry letters. 2021 Aug., v. 19, no. 4

    2021  

    Abstract: Heterocyclic moieties are basic skeletons for 80% of commercial medicines according to the US retail market in 2014–2015, yet many actual synthetic methods are not sustainable, calling for eco-friendly strategies. For instance, microwave-assisted ... ...

    Abstract Heterocyclic moieties are basic skeletons for 80% of commercial medicines according to the US retail market in 2014–2015, yet many actual synthetic methods are not sustainable, calling for eco-friendly strategies. For instance, microwave-assisted synthesis produces molecules rapidly in excellent yields using less energy. Similarly, in nanoparticle-catalysed synthesis, the use of metal-impregnated nanoparticles provides benefits such as recyclability of catalysts, excellent yields and short reaction times. Other sustainable methods include solvent-free synthesis, ionic liquid-supported synthesis, organic synthesis in water, sonochemical synthesis and combinatorial synthesis. Here, we review the application of microwave irradiation for organic synthesis, organic synthesis in water and solvent-free synthesis in a combined manner. We present the synthesis of complex heterocyclic molecules using nanoparticles as catalysts. We emphasize green aspects of synthetic procedures.
    Keywords energy ; environmental science ; heterocyclic compounds ; microwave radiation ; microwave treatment ; retail marketing
    Language English
    Dates of publication 2021-08
    Size p. 3315-3358.
    Publishing place Springer International Publishing
    Document type Article
    Note Review
    ZDB-ID 2107984-5
    ISSN 1610-3661 ; 1610-3653
    ISSN (online) 1610-3661
    ISSN 1610-3653
    DOI 10.1007/s10311-021-01232-9
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