<![CDATA[Current Chinese Chemistry (Volume 3 - Issue 1)]]> https://www.benthamscience.com/journal/184 RSS Feed for Journals | BenthamScience EurekaSelect (+https://www.benthamscience.com) 2024-01-12 <![CDATA[Current Chinese Chemistry (Volume 3 - Issue 1)]]> https://www.benthamscience.com/journal/184 <![CDATA[Molecular Docking and QSAR Studies of Indole Derivatives as Antifungal Agents]]>https://www.benthamscience.com/article/1304292024-01-12Introduction: Fungal infection and resistance to existing antibiotics is a major problem across the globe, which is associated with the inappropriate use of antibiotics in humans, animals farming, and agriculture. Unfortunately, addressing these difficulties is becoming extremely critical as they arise. In this paper, we used Hansch and Fujita's linear free energy relationship (LFER) model to perform 2D QSAR (quantitative structure activity relationships) on 28 known Indole derivatives.

Objective: Molecular docking and 2D QSAR studies of Indole derivatives as antifungal agents.

Methods: 2D QSAR was performed on the reported antifungal activity data of 28 selected compounds based on theoretical chemical descriptors to construct statistical models that link structural properties of Indole derivatives to antifungal activity. To represent the structural properties of compounds, a collection of molecular descriptors such as geometric, topological, hydrophobic and electronic characters were determined. Biological activity data was first translated into pMIC values (i.e. -log MIC) and used as a predictor variable in the QSAR analysis. We have also performed molecular docking studies of same compounds by using Maestro module of Schrodinger.

Results: All docked compounds had better binding scores with reference to fluconazole.

Conclusion: Compounds with high values of electronic energy and dipole moment will be effective against fungi, and Indole derivatives having lowered κ2 values will be effective antifungal agents.

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<![CDATA[Solid-phase Spectrophotometric Determination of Synthetic Food Colourants in Confectionery Products]]>https://www.benthamscience.com/article/1330572024-01-12We suggest a simple method of solid-phase spectrophotometric determination of the following synthetic food colourants: quinoline yellow Е104, sunset yellow FCF Е110, Ponceau 4R Е124, patent blue V Е131, brilliant blue FCF Е133.

Methods: The method implies the use of a polymethacrylate matrix for solid-phase extraction of these colourants from confectionery products.

Results: While the contact time for the matrix and the colourant solution was 15 minutes, the detection limits were 1.7; 1.6; 5.8; 2.9; 2.9 mg·L–1 for colourants E104, E110, E124, E131, E133, correspondingly. The standard deviation of the results by determination of synthetic food colourants in confectionery products did not exceed 13%.

Conclusion: Compared to spectrophotometric determination involving liquid solvent extraction, the method of determination of synthetic colourants we developed offers the following advantages: sufficient increase of determination sensitivity, which results from accumulation of the analyte and elimination of the possible aliquote turbidity as well as zero colourant loss by absorption into supernatant liquid and the solid phase of the matrix.

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<![CDATA[Titanium Complexes: Cytotoxic and Antiproliferative Effects on HeLa, C6, and CHO Cell Lines]]>https://www.benthamscience.com/article/1335792024-01-12The antiproliferative studies of Titanium(II) complexes of composition TiCl2 (L)2 [L = 2,2'-bipyridine (bipy), 4,4'-dimethyl-2,2'-bipyridine (bpMe), 4,4'-dimethoxy-2,2'-bipyridine (bpoMe), 6,6'-dimethyl-2,2'-bipyridine (dpMe), adamantylamine (ada)] were done against three different HeLa (cervical), C6 (glioma) and CHO (Chinese hamster ovarian) cell lines. It has been observed that the complex with 6,6'-dimethyl-2,2'-bipyridine (dpme) ligand was more potent against HeLa cell lines with an IC50 value of 9.10 μM but less effective than the known anticancer drug Camptothecin (IC50 = 6.2 μM). Furthermore, cell cycle analysis was accomplished on CHO cell lines to discover the cell death mechanism. It has been observed that all complexes induce cell death through an increase in hypo-diploid cells (Sub-G1 population), which indicates apoptosis in a dose-dependent manner.

Objectives: Cytotoxic studies of synthesized titanium complexes on three different cell lines; MTT assay; cell cycle analysis.

Methods: MTT assay: The cytotoxic activity of the synthesized complexes against the HeLa, C6, and CHO cell lines was determined using the colorimetric 3-(4,5-dimethylthiazol-2-yl)-2,5- diphenyl tetrazolium bromide (MTT) assay. This assay was carried out in triplicate on 96 plates, with a well-defined procedure and minor modifications.

Result: Cell cycle analysis: Cells were plated at 1×106 cells/dish in 24-well plates and then grown either in the presence or absence of the complex at three different concentrations, i.e. below and above IC50 and at IC50 values. After 24 h of treatment, the cells were harvested from the dishes by collecting trypsinized cells together with floating cells in the medium.

Conclusion: In the present paper, we have reported the cytotoxic studies of previously reported titanium complexes against HeLa, C6, and CHO cell lines. The results have shown that titanium complex (D1) having 6,6'-dimethyl-2,2'-bipyridine ligand was more effective against the HeLa cell line. The morphological changes in CHO cells indicate characteristic features similar to apoptosis, and cell cycle analysis indicates an increase in hypo-diploid cells.

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<![CDATA[Fluorescence Quenching Study of 5-sulphosalicylic Acid Doped Polyaniline-γ-Fe<sub>2</sub>O<sub>3</sub> Composite for High Energy Material Sensing (Fe-SPAni)]]>https://www.benthamscience.com/article/1343842024-01-12Background: Polymeric nanocomposites containing metal oxides are of interest to researchers because these materials show hybrid properties that are generated from both components. Due to the control and design of structural properties at the nanoscale scale, they have specialized properties for a range of applications. Researchers have tried to improve the desirable characteristics and thus increase their application by reinforcing them with nanoscale materials to provide them with better properties than conventional micro composites.

Objective: In our present work we have used 5-sulphosalicylic acid doped polyaniline-γ-Fe2O3 composite (Fe-SPAni) to detect explosives using fluorescence quenching method. Along with ease of synthesis and low cost, Fe-SPAni possesses a variable oxidation state which is important for trace detection of the analytes.

Methods: We used the fluorophore Fe-SPAni to detect High Energy Materials (HEMs) using the fluorescence quenching approach, which is still difficult to achieve. UV-V is spectroscopy, Fourier-transform infrared (FTIR) spectroscopy, and scanning electron microscopy (SEM/EDAX) were used to determine the molecular structure of the Fe-SPAni composite produced by oxidative chemical polymerization; CV studies were performed to investigate the electrochemical properties. HEMs such as dinitrobenzene (DNB), pentaerythritol tetranitrate (PETN), trinitrotoulene (TNT), 1,3,5-trinitroperhydro-1,3,5-triazine (RDX), and hexanitrohexaazaisowurtzitane(CL-20) were used as quenchers.The fluorescence quenching process was determined using the Stern-Volmer graph.

Results: The Stern-Volmer(S-V) plot and limit of detection (LOD) data showed that PETN had the greatest results for the quenching constant value (Ksv) (Ksv =1.33 x 106 M-1 and 1.4x 10-6M, respectively).

Conclusion: The research points to Fe-SPAni as a promising contender for sensing explosives.

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<![CDATA[Chromatographic Development and Validation of High-performance Thin Layer Chromatography Method for Concurrent Estimation of Azelnidipine and S (-) Metoprolol Succinate in Bulk and Tablets]]>https://www.benthamscience.com/article/1346242024-01-12Background: Azelnidipine a calcium channel blocker belongs to BCS class II and S (-) Metoprolol Succinate belongs to BCS class I. The ever-increasing number of drugs and their combinations in the market leads to the need for the development of analytical methods for their quality control.

Objective: For the concurrent detection of Azelnidipine (AZEL) and S (-) Metoprolol Succinate (MTS) in bulk and pharmaceutical combination dosage form, a simple, selective, and accurate high-performance thin layer chromatographic technique was developed and validated. To determine the stability of formulation in various conditions force degradation study was carried out as per ICH Q1 guidelines.

Method: The stationary phase for the method was silica gel 60F 254 (10X10) precoated aluminium plates for HPTLC. Toluene: Ethyl acetate: Methanol: Glacial acetic acid were the solvents of the solvent system (6:2:2:0.1 v/v/v/v).

Result: A compact spot for both azelnidipine and metoprolol succinate was detected in the system (Rf = 0.66 and 0.22, respectively). Utilizing the absorbance mode at 236 nm, densitometric measurement of Azelnidipine and S (-) Metoprolol Succinate was performed. Linear regression analysis results for the calibration plots showed good linear relationships with R2 values of 0.9997 and 0.9992 for peak areas in the concentration range 200-1000 ng per spot for Azelnidipine and with respect to peak areas in the concentration range 200-1000 ng per spot for S (-) Metoprolol Succinate. Precision, recovery, and robustness of the method were validated as per ICH guidelines. In alkaline condition, major degradation of S (-) Metoprolol succinate was observed. Azelnidipine showed major degradation in acidic condition.

Conclusion: A statistical study demonstrated that the method is accurate, precise, and selective for the estimation of metoprolol and azelnidipine. From the results of forced degradation studies, it is concluded that formulation has sufficient stability in various stress conditions.

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<![CDATA[Potential Therapeutic Applications for Isolinderalactone in Medicine for the Treatment of Cancers and other Human Complications: An Overview of Medicinal Importance]]>https://www.benthamscience.com/article/1338522024-01-12Background: Herbal medicines have been used in both traditional and modern medicine for the treatment of numerous kinds of human disorders and associated secondary complications. Lindera species has an important place in traditional medicine and provides a great source of structurally diverse molecules with important pharmacological potential. Lindera strychnifolia is used as remedies for the treatment of menstruation complications, frequent urination, and vomiting. Isolinderalactone is a sesquiterpene class phytochemical isolated from the root extracts of Lindera aggregate.

Methods: Biological importance and pharmacological activities of isolinderalactone have been investigated in the present work through scientific data analysis of different scientific research work. Scientific data on isolinderalactone have been collected from Google, Google Scholar, ScienceDirect, PubMed and Scopus using the terms isolinderalactone, Lindera species, and terpenes and analyzed in the present work in order to know its therapeutic potential in medicine.

Results: Present work signified the biological importance of isolinderalactone in medicine, which can modulate several physiological functions in the human body. Isolinderalactone exhibits distinct anticancer profiles both in vitro and in vivo. Present review data signified the biological importance of isolinderalactone in medicine, as it exhibits significant potential on human ovarian cancer cells, glioblastoma, breast cancer, and non-small cell lung cancer. Furthermore, its biological effectiveness is mainly because of its anti-inflammatory activity, prolyl endopeptidase inhibitory potential, angiogenic activity, and anti-metastatic effect in medicine. The present study also summarized the biological significance of Lindera species and sesquiterpenoids in medicine reported for different pharmacological activities.

Conclusion: The present work highlighted the biological importance and therapeutic potential of isolinderalactone in medicine.

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<![CDATA[Biological Significance and Therapeutic Role of an Important Class of Sesquiterpene Teuclatriol in Medicine]]>https://www.benthamscience.com/article/1333842024-01-12