Browsing by Author "A.K. Patel"

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Electrochemical sensor for uric acid based on a molecularly imprinted polymer brush grafted to tetraethoxysilane derived sol-gel thin film graphite electrode
(2009) A.K. Patel; P.S. Sharma; B.B. Prasad
Determination of uric acid in human serum and urine is useful to provide treatment guidelines to hyperuricemic patients. An electrochemical sensor was developed for selective and quantitative recognition of uric acid by using a preanodised sol-gel coated graphite electrode with a molecularly imprinted polymer brush of poly(melamine-co-chloranil) grafted to its exterior surface. During a preconcentration step at (+ 2.0 V versus saturated calomel electrode), the encapsulated analyte recapture involved hydrophobically induced hydrogen-bondings in outwardly exposed MIP cavities in aqueous environment (pH 7.0), instantly oxidised as dications, and then cathodically stripped off as corresponding lactam responding differential pulse, cathodic stripping voltammetric signal. The uric acid was selectively detected without any cross reactivity in the windows of 14.56-177.42 μg mL- 1 (aqueous medium), 4.78-106.96 μg mL- 1 (blood serum), and 7.81-148.42 μg mL- 1 (urine) indicating detection limits in the range of 3.71-4.10 μg mL- 1 (3σ, RSD = 1.9%). © 2008 Elsevier B.V. All rights reserved.
Experimental, spectroscopic, and theoretical investigation on structural and anticancer activities of Schiff bases derived from isonicotinohydrazide
(Elsevier B.V., 2023) Seema Gupta; Shivendra Kumar Pandey; Sandeep Kumar; Ram Nayan Gautam; A.K. Patel; M.K. Bharty; D. Kushwaha; A. Acharya; R.J. Butcher
Isoniazid hydrazones are promising possibilities as medicines since they have preserved efficacy and are less toxic and resistant to resistance than parent Isoniazid (INH). Here, we have synthesized a series of Schiff bases (INH1–9) derived from a clinically approved antitubercular drug Isoniazid (INH). These synthesized ligands have been characterized by various spectroscopic techniques like IR, UV–vis., NMR, HRMS, etc. Moreover, single crystal of three derivatives viz. INH4, INH8, and INH9 has been determined and they crystallize in monoclinic crystal system. Hirshfeld surface analysis has been performed to ascertain intermolecular interactions present in these compounds. The molecular geometry optimization and vibrational analysis of these compounds were performed using density functional theory (DFT) studies utilizing B3LYP/6–31++G(d, p) basis set. The TD-DFT analysis was also performed to understand electronic transitions and the nature of FMO in these compounds. There was a good correlation found between theoretical and experimental values, thereby confirming the molecular structures of synthesized compounds. Molecular docking studies were performed to obtain more insights on potential anticancer activities of these compounds along with standard anticancer drugs 5-fluorouracil and Tamoxifen against MDM2 (4HG7) protein. The outcome revealed a significant binding affinity of these compounds with target protein even better than 5-fluorouracil and comparable to Tamoxifen. The compounds (INH4 and INH9) having the strongest binding affinity with the target protein are further experimentally evaluated for their in-vitro cytotoxic action on Dalton's lymphoma cells employing MTT assay, fluorescence microscopy, and flow cytometry. IC50 value (150 µg/ml) of this compound is equated with before-reported complexes/molecules/extracts and found it has better or comparable cytotoxicity. © 2023 Elsevier B.V.
Exploring 2-(benzylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole as antiproliferative agent: Synthesis, single crystal XRD, DFT, Hirshfeld surface analysis, in vitro antiproliferative activity and molecular docking analysis
(Elsevier B.V., 2024) Riya Kumari; Shivendra K. Pandey; A.K. Patel; D. Kushwaha; A. Acharya; M.K. Bharty
In this investigation, an oxadiazole derivative namely 2-(benzylthio)-5-(4-nitrophenyl)-1,3,4-oxadiazole (2-Btno) was synthesized. The study delves into the exploration of its anticancer efficacy against Dalton's lymphoma (DL) tumor cells, obtained from murine T-cell lymphoma. The compound 2-Btno has been characterized by elemental analysis, IR, UV–Vis., NMR, and single-crystal X-ray diffraction data. The compound 2-Btno crystallizes in a monoclinic system with space group P 21/n. The crystal structure is stabilized by weak C[sbnd]H···O and N[sbnd]H···N hydrogen bonding weak interactions, which are quantitively examined through Hirshfeld surface analysis. The DFT calculations are also performed to verify physiochemical properties of 2-Btno and the results obtained are in good agreement with the experimental results. The HOMO and LUMO energy gap of 3.402 eV for 2-Btno indicates good NLO properties. The cytotoxic activity of 2-Btno against Dalton's lymphoma cells was assessed through the MTT assay. The results indicated notable anticancer efficacy, with an IC50 value of 80 μg/mL. The mode of action of compound 2-Btno was examined through various assays, and the findings indicate that compound 2-Btno functions by downregulating mitochondrial membrane potential and upregulating the reactive oxygen species (ROS) production. Molecular docking study was conducted to establish the correlation between the cytotoxicity of the compound and its binding affinity within the active sites of crucial anti-cancer and anti-apoptotic target proteins MDM2 (PDB: 3JZK), Bcl-XL (PDB: 4QVX) and Bcl-2 (PDB: 6O0K). © 2024