Background:
Functional foods, neutraceuticals and natural antioxidants have established their potential
roles in the protection of human health and diseases. Thymoquinone (TQ), the main bioactive component of
Nigella sativa seeds (black cumin seeds), a plant derived neutraceutical was used by ancient Egyptians because
of their ability to cure a variety of health conditions and used as a dietary food supplement. Owing to its multi
targeting nature, TQ interferes with a wide range of tumorigenic processes and counteracts carcinogenesis, malignant
growth, invasion, migration, and angiogenesis. Additionally, TQ can specifically sensitize tumor cells
towards conventional cancer treatments (e.g., radiotherapy, chemotherapy, and immunotherapy) and simultaneously
minimize therapy-associated toxic effects in normal cells besides being cost effective and safe. TQ was
found to play a protective role when given along with chemotherapeutic agents to normal cells.
Methods:
In the present study, reverse in silico docking approach was used to search for potential molecular
targets for cancer therapy. Various metastatic and apoptotic targets were docked with the target ligand. TQ was
also tested for its anticancer activities for its ability to cause cell death, arrest cell cycle and ability to inhibit
PARP gene expression.
Results:
In silico docking studies showed that TQ effectively docked metastatic targets MMPs and other apoptotic
and cell proliferation targets EGFR. They were able to bring about cell death mediated by apoptosis, cell
cycle arrest in the late apoptotic stage and induce DNA damage too. TQ effectively down regulated PARP gene
expression which can lead to enhanced cancer cell death.
Conclusion:
Thymoquinone a neutraceutical can be employed as a new therapeutic agent to target triple negative
breast cancer which is otherwise difficult to treat as there are no receptors on them. Can be employed along
with standard chemotherapeutic drugs to treat breast cancer as a combinatorial therapy.
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