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- The worldwide expanding increment in cancer pervasiveness is disturbing and this disease ranks among the main causes of mortality in both developing and developed countries. Unfortunately, available treatment options come with serious side effects and do not guarantee complete success. Although numerous models have been proposed for the development of better therapeutic agent, however the exact mechanism are still poorly understood. This then calls for continued research aimed at developing new drugs as an alternative or adjuvant anticancer agents. Here we have identified five vital proteins (CDK-2, Bcl-2, CDK-6, VEGFR, and IGF-1R) that aid tumor growth and we inhibited the activity of these proteins with Puerarin. Puerarin is an isoflavonoid C-glycosides used as a therapeutic agent against various human ailments. Our findings revealed that Puerarin fulfilled Veber’s rule. Added to this, CDK-6 and Bcl-2 had better glide scores for puerarin than the control (doxorubicin) and molecular simulation showed the stability of the complexes. These findings suggest that inhibiting CDK-6 and Bcl-2 with Puerarin could prove more effective in the management of cancer than doxorubicin. Overall, this study provides a new direction that could facilitate rational drug design for cancer.
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- The ability of Natural Killer (NK) cells to eliminate cancerous cells is largely dependant on the activation of the stimulatory or co-stimulatory natural killer group 2, member D (NKG2D) receptor. This receptor recognises ligands that are structural homologs of MHC class I molecules such as the UL-16 binding protein 2 (ULBP2). ULBP2 has been reported to have the ability to mediate natural resistance against tumours in vivo, thus promoting its use as a potential target for developing immunotherapeutic agents for the treatment of cancers and some viral infections. In this study, we generated a reliable and quality 3-D structure of the protein using SWISS-MODEL. Furthermore, the ULBP2 was forecasted to be antigenic in nature and possesses six linear B-cell epitopes and 11 discontinuous B-cell epitopes. The protein contains seven cytotoxic T lymphocytes (CTLs) and two helper T lymphocytes (HTLs). Overall, potential epitopes that might be effective to produce the B-cell and T-cell mediated immunity towards the needed immune response to tumour growth was predicted.
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