Design, synthesis, anticancer evaluation and molecular docking of new V600EBRAF inhibitors derived from pyridopyrazinone

Synthesis and In Vitro Biological Evaluation of New Pyrido[2,3‐b]pyrazinone‐Based Cytotoxic Agents and Molecular Docking as BRAF Inhibitors

“…Therefore, they are considered an important key elements in the drug design. Pyrido[2,3‐ b ]pyrazinone derivatives (such as CCT239065 IV , compound V and compound VI ) (Figure ) were described for inhibiting mutated BRAF kinase enzyme ( V600E BRAF). They are considered type 2 inhibitors through their binding with the constitutive amino acid residue (Cys 532) in the active site of V600E BRAF.…”

“…They are considered type 2 inhibitors through their binding with the constitutive amino acid residue (Cys 532) in the active site of V600E BRAF. Compound VI was previously reported to be most active compound among its analogues against human colon cancer cell line (IC 50 0.32 nM) . Therefore, it is considered an interesting scaffold for further structural and molecular optimization.…”

New flavone-based arylamides as potential V600E-BRAF inhibitors: Molecular docking, DFT, and pharmacokinetic properties

“…V600E-BRAF is the most well-known mutation in BRAF ; it was found in 8% of all the cancers, such as colorectal-cancer (10%), melanoma (60%), and thyroid cancer (30–70%). 1 , 2 Thus, the V600E-BRAF kinase is an important target in managing and treating cancer ailments. 3 , 4 Dabrafenib and vemurafenib are both inhibitors (selective) of V600E-BRAF that induce a highly effective automatic death of melanoma cells.…”

Virtual screening, pharmacokinetic, and DFT studies of anticancer compounds as potential kinase inhibitors

“… 14 This mutation is present in 8% of all cancers, such as colorectal cancer (10%), melanoma (60%), and thyroid cancer (30–70%). 15 , 16 Thus, V600E-BRAF kinase is considered an important target for managing and treating cancer. 17 , 18 …”