Design, synthesis, anticancer evaluation and molecular docking studies of 1,2,3-triazole incorporated 1,3,4-oxadiazole-Triazine derivatives

Sujana Oggu; Parameswari Akshinthala; Naresh Kumar Katari; Laxmi Kumari Nagarapu; Srimannarayana Malempati; Rambabu Gundla; Sreekantha Babu Jonnalagadda

doi:10.1016/j.heliyon.2023.e15935

Design, synthesis, anticancer evaluation and molecular docking studies of 1,2,3-triazole incorporated 1,3,4-oxadiazole-Triazine derivatives

Heliyon. 2023 May 3;9(5):e15935. doi: 10.1016/j.heliyon.2023.e15935. eCollection 2023 May.

Authors

Sujana Oggu^{1

2}, Parameswari Akshinthala³, Naresh Kumar Katari^{1

4}, Laxmi Kumari Nagarapu¹, Srimannarayana Malempati¹, Rambabu Gundla¹, Sreekantha Babu Jonnalagadda⁴

Affiliations

¹ Department of Chemistry, GITAM School of Science, GITAM (Deemed to be University), Hyderabad, Telangana, 502 329, India.
² G. Narayanamma Institute of Technology & Science, Hyderabad, Telangana, 500 104, India.
³ Department of Science and Humanities, MLR Institute of Technology, Dundigal, Medchal, Hyderabad, Rudraram, 500043, India.
⁴ School of Chemistry & Physics, College of Agriculture, Engineering & Science, Westville Campus, University of KwaZulu-Natal, P Bag X 54001, Durban, 4000, South Africa.

Abstract

A new library of 1,2,3-triazole-incorporated 1,3,4-oxadiazole-triazine derivatives (9a-j) was designed, synthesized, and tested in vitro for anticancer activity against PC3 and DU-145 (prostate cancer), A549 (lung cancer), and MCF-7 (breast cancer) cancer cell lines using the MTT assay with etoposide as the control drug. The compounds exhibited remarkable anticancer activity, with IC50 values ranging from 0.16 ± 0.083 μM to 11.8 ± 7.46 μM, whereas the positive control ranged from 1.97 0.45 μM to 3.08 0.135 μM. Compound 9 d with a 4-pyridyl moiety shown exceptional anticancer activity against PC3, A549, MCF-7, and DU-145 cell lines, with IC50 values of 0.17 ± 0.063 μM, 0.19 ± 0.075 μM, 0.51 ± 0.083 μM, and 0.16 ± 0.083 μM, respectively.

Keywords: 1,2,3-Triazole; 1,3,5-Triazine; Altretamine; Anticancer activity; Mubritinib.