School Of Basic And Applied Sciences

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    Identification of Novel Natural Inhibitors Of Proteins Involved In Cancer Cell Stemness
    (Central University of Punjab, 2018) Malik, Rebati; Kumar, Shashank
    Cancer stem cells (CSCs) are a small subpopulation of cells identified in a variety of tumors that are capable of self-renewal, differentiation and have the unique property to evade radiotherapy and chemotherapy. CSCs are a very likely cause of resistance to current cancer treatments, as well as relapse in cancer patients. Compared to differentiated tumor cells, CSCs have some important distinguishing feature that confers chemoresistance in these cells. Different proteins such as Bcl-2 (2O21), CXCR4 (3ODU), CHK1 (4FSZ), MTH1 (5ANV), VEGFR2 (1Y6A) and Carbonic anhydrase II (5SZ2) have been reported to involve in cancer cell stemness. Now day's natural products are popular remedies against various diseases including cancer. These products have been reported for their low/non-toxicity and cost-effectiveness. The phytochemical terpenoids, biggest class of naturally occurring compounds derived from five-carbon isoprene unit. They play an important role in binding to the above signaling proteins which are involved in cancer stem cells. Therefore, we studied receptor-based molecular docking of natural terpenoids against target proteins.
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    Molecular docking study of natural alkaloids as multi-targeted hedgehog pathway inhibitors in cancer stem cell therapy.
    (Elsevier, 2015) Mayank; Jaitak, Vikas
    Cancer is responsible for millions of deaths throughout the world every year. Increased understanding as well as advancements in the therapeutic aspect seems suboptimal to restrict the huge deaths associated with cancer. The major cause responsible for this is high resistance as well as relapse rate associated with cancers. Several evidences indicated that cancer stem cells (CSC) are mainly responsible for the resistance and relapses associated with cancer. Furthermore, agents targeting a single protein seem to have higher chances of resistance than multitargeting drugs. According to the concept of network model, partial inhibition of multiple targets is more productive than single hit agents. Thus, by fusing both the premises that CSC and single hit anticancer drugs, both are responsible for cancer related resistances and screened alkaloids for the search of leads having CSC targeting ability as well as the capability to modulating multiple target proteins. The in silico experimental data indicated that emetine and cortistatin have the ability to modulate hedgehog (Hh) pathway by binding to sonic hedgehog (Hh), smoothened (Smo) and Gli protein, involved in maintenance CSCs. Furthermore, solamargine, solasonine and tylophorine are also seems to be good lead molecules targeting towards CSCs by modulating Hh pathway. Except solamargine and solasonine, other best lead molecules also showed acceptable in silico ADME profile. The predicted lead molecules can be suitably modified to get multitargeting CSC targeting agent to get rid of associate resistances.