Department of Biological Sciences

Permanent URI for this collectionhttp://localhost:4000/handle/123456789/1922

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Author: search.filters.author.Shukla, Paritosh

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    Quinoline Glycoconjugates as Potentially Anticancer and Anti-Inflammatory Agents: An Investigation Involving Synthesis, Biological Screening, and Dockin
    (ECSP, 2020-08-20) Dubey, Uma S.; Sah, Ajay Kumar; Shukla, Paritosh
    The present work is a preliminary report of synthesis of a series of targeted 4,6-O-ethylidene-β-D-glucopyranosylamine glycoconjugate quinoline 4-carboxylic acid derivatives followed by a quick evaluation of their anti-inflammatory and anticancer activities. Compounds C5 and C8 exhibited highest anti-inflammatory activity against human COX-2 enzyme. Anticancer studies were also performed in vitro which revealed C8 as a promising candidate against HeLa, human cervical cancer cell lines. The anti-inflammatory and anticancer activity was further confirmed by molecular docking studies for all the synthesized molecules. That all the compounds showed potency, seems to validate our initial hypothesis concerning a positive correlation between anticancer and anti-inflammatory activity for the designed quinoline glycoconjugates.
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    Fast Microwave Assisted Synthesis of Pyranopyrazole Derivatives as New Anticancer Agents
    (Bentham Science, 2016) Chowdhury, Rajdeep; Shukla, Paritosh
    A series of compounds having the pyranopyrazole pharmacophore were synthesised by the traditional method and then by an unreported rapid four-component microwave assisted method. The microwave strategy required substantially shorter reaction times as compared to the traditional method. The prepared molecules were tested in-vitro for their cytotoxic activity against the Hep3B cancer cell lines. The activity results were subsequently rationalized for a quick structure-activity relationship leading to the conclusion that the presence of certain heteroatom substituents at a 3-position of the pharmacophore may be crucial for anticancer potency.
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    Novel Spiro/non-Spiro Pyranopyrazoles: Eco-Friendly Synthesis, In-vitro Anticancer Activity, DNA Binding, and In-silico Docking Studies
    (Bentham Science, 2019) Chowdhury, Rajdeep; Shukla, Paritosh; Sharma, Ashok
    Background: Cancer being a deadly disease, many reports of new chemical entities are available. Pyranopyrazole (PPZ) compounds have also been disclosed as bioactive molecules but mainly as antimicrobial agents. Based on one previous report and our interest in anticancer drug design, we decided to explore PPZs as anticancer agents. To the best of our knowledge, we found that a comprehensive study, involving synthesis, in-vitro biological activity determination, exploration of the mechanism of inhibition and finally in-silico docking studies, was missing in earlier reports. This is what the present study intends to accomplish. Methods: Ten spiro and eleven non-spiro PPZ molecules were synthesized by environment-friendly multicomponent reaction (MCR) strategy. After subjecting each of the newly synthesized molecules to Hep3b hepatocellular carcinoma cell lines assay, we selectively measured the Optical Density (OD) of the most active ones. Then, the compound exhibiting the best activity was docked against human CHK- 1 protein to get an insight into the binding affinities and a quick structure activity relationship (SAR) of the PPZs. Results: The two series of spiro and non-spiro PPZs were easily synthesized in high yields using microwave assisted synthesis and other methods. Among the synthesized compounds, most compounds showed moderate to good anticancer activity against the MTT assay. After performing the absorbance studies we found that the non-spiro molecules showed better apoptosis results and appeared to bind to DNA causing disruption in their structures. Finally, the docking results of compound 5h (having N,Ndimethylamino substituted moiety) clearly showed good binding affinities as predicted by our experimental findings. Conclusion: The paper describes a comprehensive synthesis, in-vitro and docking studies done on new PPZs. The newly synthesized series of spiro and non-spiro PPZs were found to possess antineoplasmic activity as evinced by the studies on hep3b cells. Also, the UV visible absorbance study gave clues to the possible binding of these molecules to the DNA. Docking studies corroborated well with the experimental results. Thus, these new molecules appear to be potential anticancer agents, but further studies are required to substantiate and elaborate on these findings.
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    ChemInform Abstract: Novel Grinding Synthesis of Pyranopyrazole Analogues and Their Evaluation as Antimicrobial Agents.
    (Wiley, 2016) Jha, Prabhat N.; Shukla, Paritosh
    Compounds are prepared and screened for their antibacterial and antifungal activities
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    Green Synthesis, in-vitro Antimicrobial Evaluation, Docking, and SAR Studies of Potent Quinoline-4-Carboxylic Acids
    (Bentham Science, 2019) Jha, Prabhat N.; Murugesan, Sankaranarayanan; Shukla, Paritosh
    The paper describes the synthesis of quinoline-4-carboxylic acid derivatives employing completely green methods such as the use of water as solvent and of microwave irradiation for heating. The prepared molecules were examined for bactericidal and antifungal behavior and two of the tested compounds showed reasonably good antimicrobial activity. The biological activity results were further corroborated by fluorescence microscopy and by evaluating their time-dependent bactericidal behavior. Two of the most potent compounds were then subjected to docking against DNA gyrase protein (PDB ID: 2XCT) showing possible interactions responsible for the potency of these compounds. Also, an SAR analysis was proposed based on the results obtained