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. 2019 Feb 11;9:1778. doi: 10.1038/s41598-018-38332-6

Table 1.

Binding affinity of Deguelin and its derivatives with crystal structure of cyclin D1 receptor.

Sr. No. Compound Name PubChem CID Binding Affinity (kcal/mol) Interacting Residues Bond Type Bond Distance(A0)
1 Deguelin 107935 −8.9 Lys35 H-Bond 2.74
2 Deg-32 89254848 −10.2 Lys35
Val96
Asp97
Asp158
H-Bond
H-Bond
2H-Bond
H-Bond
2.00
2.08
1.98 and 2.32 1.61
3 Deg-40 71457423 −10.1 His95 H-Bond 2.16
4 Deg-49 68251256 −9.4 Ala96 H-Bond 1.93