Department Of Botany

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Author: search.filters.author.Rani, AlkaHas files: Yes

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    Homology modeling of chemokine CCR7, molecular docking, and in vitro studies evidenced plausible immunotherapeutic anticancer natural compounds
    (Birkhauser Boston, 2016) Singh, Pushpendra; Singh, Ravi Shankar; Rani, Alka; Bast, Felix
    The chemokine receptor 7 is a G-protein coupled, receptors coordinates the migration of cancer cells towards CCL19 and CCL21 constitutively expressed lymphatic organs. Chemokine receptor 7 facilitates cancer progression by generating new lymphatic vessels that serve as conduits for tumor dissemination to lymph nodes. In this context, chemokine receptor 7 inhibitor recently caught an attention for cancer cell growth inhibitor. The 3-D crystalline structure of chemokine receptor 7 not available in protein data bank (PDB), first we predicted the 3-D structure of chemokine receptor 7 and then performed receptor-based molecular docking of chemokine receptor 7 against natural and marine compounds. Semiquantitative polymerase chain reaction (PCR) and quantitative real-time PCR were performed for mRNA expression of chemokine receptor 7 and glyceraldehyde 3-phosphate dehydrogenase (GAPDH) used as internal control. The best-docked compounds have been selected for chemokine receptor 7 inhibitors by optimal energy value (Gscore), types of interactions, and conformations. CID6441009, 42607750, 72276, 6711419, 56835050, 65064, 23663412, 72277, 643668, 54679285 compound have a better binding energy ?11.35, ?10.51, ?10.16, ?9.98, ?9.95, ?9.86, ?9.83, ?9.57, ?9.47, and ?9.45 respectively against chemokine receptor 7. Protein?ligand interactions profile highlighted that amino acid Glu45, Lys50, Arg54, Lys57, Trp114, Met260, Glu205, Gln227, Gln276, and Asp309 involved in the hydrophobic, hydrogen bonding, and ?-? stacking interactions play a central role at the active site. Moreover, treatment with the Epigallocatechin gallate led to down-regulation of mRNA expression of chemokine receptor 7 in HepG2 and PC3 cells. This molecular docking study recapitulates the docking free energy, protein?ligands interactions profile, pharmacokinetic, and the pharmacodynamic parameter of lead molecules, which are extremely helpful to improve the activity of natural and marine compounds against chemokine receptor 7. ? 2016, Springer Science+Business Media New York.
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    IMPACT OF PERSONALIZED MEDICINE IN CANCER
    (Nova Science Publishers, 2017) Singh, Pushpendra; Rani, Alka; Bast, Felix
    Personalized medicine aims to customize therapeutic care based on a person's unique genetic profile. Physicians have tailored care based on individual's health history and the environment. However, the decoding of the human genome in 2003 was an important step towards breakthroughs in personalized medicine, as a clinical care that takes benefits of molecular tools to facilitate highly specific health care based on individual's unique genomic and molecular characteristics. Pharmacogenetics refers to a single gene that influences drug metabolism. However, pharmacogenomics encompasses all genes in the genome that may determine the drug response. Pharmacogenomics enables the improved understanding of disease pathogenesis through genomics research, via identification of new biomarkers for cancer diagnosis. Pharmacogenetics and pharmacogenomics are around to revolutionize the aspect of medicine; yet, many challenges stand in the way. Hike in the cost of genotyping make genetic profiling less attractive and its clinical implementation is also lagging far behind. This book chapter presents an overview of the opportunities and challenges that influence the participation of personalized approach of giving the right drug at the right dose to the right patient.