Abstract
Background and objective:Topoisomerase TOP-IIA (TTOP-IIA) is widely used as a significant target for cancer therapeutics because of its involvement in cell proliferation. Steroidal drugs have been suggested for breast cancer treatment as aromatase enzymes inhibitors . TTOP-IIA inhibitors can be used as a target for the development of new cancer therapeutics. Materials and Methods:In this study, we conducted a docking study on steroidal drugs Anastrozole (ANA), Letrozole (LET), and exemestane (EXE) with TTOP-IIA to explore the therapeutic area of these drugs.Results:The binding interaction of EXE drug had significant docking interaction which is followed by ANA and LET. Thus, all these drugs could be used to inhibit the TTOP-IIA mediated cell proliferation and could be a hope to treat the other types of cancers. Among all three tested steroidal drugs, EXE showed binding energy -7.05 kcal/mol, hydrogen bond length1.78289 Å and amino acid involved in an interaction was A: LYS723:HZ3 -: UNK1:O6. Conclusion:The obtained data showed the most significant binding interaction analyzed with the tested enzyme. Thus, in vitro laboratory experimentation and in vivo research are necessary to put forward therapeutic repositioning of these drugs to establish them as a broad spectrum potential anticancer drugs.
Highlights
The topology of DNA is maintained by nuclear enzyme topoisomerases
Among all three tested steroidal drugs, EXE showed binding energy -7.05 kcal/mol, hydrogen bond length1.78289 Å and amino acid involved in an interaction was A: LYS723:HZ3 -: UNK1:O6
In vitro laboratory experimentation and in vivo research are necessary to put forward therapeutic repositioning of Aromatase inhibitor (AI) to establish it as a potential anticancer drug against cancers other than breast cancer
Summary
The topology of DNA is maintained by nuclear enzyme topoisomerases. They catalyze the provisional cutting and ligation processes of DNA, and classified as topoisomerases TOP-I (TTOP-I), TTOP-IIA, and topoisomerase TOP-IIB (TTOP-IIB) (Gupta et al, 1995). According to previously published research, TTOP-I is associated with cancer, and TTOP-II plays a significant role in cancer development These enzymes contribute much more for cancer detection and treatment (Pommier et al, 1998; Andoh and Ishida 1998; Nitiss 2009). Topoisomerase TOP-IIA (TTOP-IIA) is widely used as a significant target for cancer therapeutics because of its involvement in cell proliferation. Results: The binding interaction of EXE drug had significant docking interaction which is followed by ANA and LET. All these drugs could be used to inhibit the TTOP-IIA mediated cell proliferation and could be a hope to treat the other types of cancers. In vitro laboratory experimentation and in vivo research are necessary to put forward therapeutic repositioning of these drugs to establish them as a broad spectrum potential anticancer drugs
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