School Of Basic And Applied Sciences

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Subject: search.filters.subject.Natural compounds

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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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    Natural Compounds Are Smart Players in Context to Anticancer Potential of Receptor Tyrosine Kinases: An In Silico and In Vitro Advancement
    (Springer, 2017) Singh, Pushpendra; Kumar, Shashank; Bast, Felix
    Cancer is the ruling cause of mortality worldwide. Chemotherapeutic toxicity and drug resistance have provided impulsion for the formulation of new anticancer agents. Receptor tyrosine kinases (RTKs) are the most activated cell surface receptors for copious polypeptide growth factors, cytokines, and hormones that play a considerable role in cancer initiation, promotion, and progression. Natural products are a prime source of new anticancer drugs and their leads. The objective of computer-aided drug design (CADD) is to enhance the set of compounds with prudent active drug-like properties and eliminate inactive, toxic, poor absorption, distribution, metabolism, and excretion toxicity (ADME/T) compounds. In the present chapter, in silico advancement of anticancer natural compounds and molecular mechanisms of action of flavonoids, viz., genistein, myricetin, quercetin, luteolin, morin, kaempferol, catechin, and epigallocatechin gallate (EGCG), on RTK and PI3K signaling pathway attributing to their potential anticancer activity have been discussed.
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    Natural Compounds Targeting Transforming Growth Factor-β: In Silico and In Vitro Study
    (ejBio, 2016) Singh, Pushpendra; Bast, Felix; Singh, Ravi Shankar
    Inhibition of the tumor-promoting effects of transforming growth factor beta receptor (TGFβR) in carcinogenesis provides a better therapeutic intervention. Various natural compounds, inhibitors of TGFβR have been used for in vitro and in vivo anticancer study. Although very few TGFβR inhibitors are now intensifying in preclinical studies. In this study our aim to investigate TGFβR1, TGFβR2 and TAK1 inhibitor by using molecular docking and in vitro study. Our result revealed that some compounds have better docking energy. Moreover, the effect of two lead molecules epigallocatechin gallate (EGCG) and myricetin on the mRNA expression of TGFβR1 was reported after the 48 hrs treatments in HepG2 and PC3 cancer cell lines. The RT-PCR showed that compound EGCG and myricetin reduced the mRNA expression of TGFβR1 at 80 μM concentration. This molecular docking study provides a better understanding of binding of compounds to the active site of proteins and to summarize the various binding energy, hydrophobic, hydrogen, an electrostatic bond that are decisive for the protein-ligand interactions. Further experimental work will be required for validation of our results.