In silico design, synthesis of a novel chalcone derivative and its in vitro and in vivo anticancer activity against colon cancer-induced mouse model.

This study aimed to synthesize and evaluate the anticancer activity of novel chalcone derivative against colon cancer by in vitro cytotoxicity against HCT-116 (Research Resource Identifiers:CVCL_D4JB) cell line and in vivo using EAC (Research Resource Identifiers: CVCL_1306) and DLA (Research Resource Identifiers: CVCL_VR37) cells inoculated Swiss albino mice. The present study aimed to synthesize the new chalcone derivatives and conduct its anti-colon cancer activity both in vitro and in vivo. The designed compounds were subjected to in silico studies like binding pocket analysis, molecular docking, and ADME studies. The compounds were synthesized using the Claisen-Schmidt condensation technique. The synthesized compounds were then characterized using FT-IR, NMR, and MS. Further, synthesized the compounds were subjected to an in vitro cytotoxicity study using an MTT assay against the HCT-116 cell line. The therapeutic efficacy of novel chalcone derivative was evaluated against (Ehrlich Ascites Carcinoma) EAC and (Dalton's Lymphoma Ascites) DLA cell inoculated Swiss albino mice. The characterization of the compounds using FT-IR, NMR, and MS confirmed the formation of the new chalcone derivatives. One synthesized compound showed good cytotoxicity against the HCT-116 cell line with an IC50 value of 15.90 μg/ml. In the in vivo pharmacodynamic parameters, the S1 maintained stable body weight, decrease in tumour volume, and tumour weight, and increased the life span of cancer-induced mice. Haematological profiles such as RBC, WBC, Hb, and Platelet count revealed nearly normal levels in S1-treated mice in both EAC and DLA cell-inoculated mice. All the observations convey that the novel chalcone derivative (S1) has potency in dose-dependent anticancer activity comparable to 5-flurouracil.