Design and Synthesis of Novel N1-(Phenoxyethyl) Theobromine Derivatives and Evaluation of Their Cytotoxicity by in-vitro Method with Molecular Docking Study: A Laboratory Study

Q: How can I download an article?

To download an article from SID, first log in to the site, search for the article title, and click on the 'Download Article' option.

Q: How can I download an ISI article?

To download an ISI article on SID, enter the keyword or article title in the search bar, view the relevant results, click on the desired article, and select the 'Download Article' option.

Q: How can I access the SID database?

To access the SID database, visit SID.ir, create an account, and log in to access scientific resources.

Q: Is downloading articles from SID free?

Some articles on SID are available for free, while others require payment. Details are specified on the article's page.

Faghih Mirzaei E.; AMERI A.; Forootanfar H.; Rouholamini H.S.; Shamsadinipour M.; JAFARI M.

مرکز اطلاعات علمی Scientific Information Database (SID) - Trusted Source for Research and Academic Resources

Journal Paper

Paper Information

Journal: JOURNAL OF RAFSANJAN UNIVERSITY OF MEDICAL SCIENCES AND HEALTH SERVICES Year:2020 | Volume:19 | Issue:2 Page(s): 137-154

Download Full-Text

Persian Verion

View:

423

Download:

Cites:

Information Journal Paper

Title

Design and Synthesis of Novel N1-(Phenoxyethyl) Theobromine Derivatives and Evaluation of Their Cytotoxicity by in-vitro Method with Molecular Docking Study: A Laboratory Study

Author(s)

Keywords

CytotoxicityQ2

Molecular modelingQ1

Theobromine derivativesQ1

SynthesisQ2

Abstract

Background and Objectives: Cancer, one of the global health problems, has been introduced as one of the main death causes worldwide. Xanthine derivatives have been identified as effective compounds for prevention and treatment of cancer. In this study, a series of novel phenoxy ethyl Theobromine derivatives were designed with N1 positioning and their cytotoxic activity was evaluated. Also, molecular docking studies were performed to predict the possible action mechanism of these compounds. Materials and Methods: In the present laboratory investigation, compounds 2, 3, and 5a-l were initially synthesized. The Cytotoxicity of all new synthesized compounds was studied by MTT (methylthiazolyldiphenyl-tetrazolium bromide)-based colorimetric assay against 4 human cancer cell lines. Autodock software was used to determine the binding energies of these structures on human tetrahydrofolate reductase, human octo-5'-nucleotidase (e5NT) and human phosphodiesterase enzymes. The obtained data were analyzed using one-way analysis of variance. Results: The results of docking studies showed acceptable binding energy (-8. 42 kcal/mol) against e5NT. The results of Cytotoxicity analysis showed that the greatest effect of Cytotoxicity was against A549 and MCF-7 cells (compound 5e with IC50 values of 86. 65 μ M and 161. 09 μ M, respectively). Conclusion: The results of molecular docking studies showed acceptable binding energy against the octo-5'-nucleotidase enzyme. Among the synthesized derivatives, compound 5a with the lowest Δ G level (-8. 42 kcal/mol) was selected as the best inhibitor of this enzyme. Appropriate effects of Cytotoxicity were observed at different concentrations of the synthesized compounds on MCF7 and A549 cell lines.

Cites

No record.

References

Cite

APA: Copy

Faghih Mirzaei, E., AMERI, A., Forootanfar, H., Rouholamini, H.S., Shamsadinipour, M., & JAFARI, M.. (2020). Design and Synthesis of Novel N1-(Phenoxyethyl) Theobromine Derivatives and Evaluation of Their Cytotoxicity by in-vitro Method with Molecular Docking Study: A Laboratory Study. JOURNAL OF RAFSANJAN UNIVERSITY OF MEDICAL SCIENCES AND HEALTH SERVICES, 19(2 ), 137-154. SID. https://sid.ir/paper/404330/en

Vancouver: Copy

Faghih Mirzaei E., AMERI A., Forootanfar H., Rouholamini H.S., Shamsadinipour M., JAFARI M.. Design and Synthesis of Novel N1-(Phenoxyethyl) Theobromine Derivatives and Evaluation of Their Cytotoxicity by in-vitro Method with Molecular Docking Study: A Laboratory Study. JOURNAL OF RAFSANJAN UNIVERSITY OF MEDICAL SCIENCES AND HEALTH SERVICES[Internet]. 2020;19(2 ):137-154. Available from: https://sid.ir/paper/404330/en

IEEE: Copy

E. Faghih Mirzaei, A. AMERI, H. Forootanfar, H.S. Rouholamini, M. Shamsadinipour, and M. JAFARI, “Design and Synthesis of Novel N1-(Phenoxyethyl) Theobromine Derivatives and Evaluation of Their Cytotoxicity by in-vitro Method with Molecular Docking Study: A Laboratory Study,” JOURNAL OF RAFSANJAN UNIVERSITY OF MEDICAL SCIENCES AND HEALTH SERVICES, vol. 19, no. 2 , pp. 137–154, 2020, [Online]. Available: https://sid.ir/paper/404330/en

Related Journal Papers