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. 2020 Apr 30;35(1):1116–1123. doi: 10.1080/14756366.2020.1759581

Table 4.

Docking scores of active compounds 9 and 10 against human thymidylate synthase protein 6QXG.

Compound Docking score Amino acid residue
9 −9.09 Cys 195, Tyr 135 and Asn 226
10 −8.67 Leu 221, Asn 226 and Tyr 230
5-FU −4.22 Phe 80, Arg 78, Thy306 and Ile307