Table 5 Average GDK values for Altertoxin X, Cladosporol H, and 17\(\upbeta\)-Estradiol considering three density functionals (B3LYP, PBEO and MN12SX) (all results in eV).

From: Integrated approach for studying bioactive compounds from Cladosporium spp. against estrogen receptor alpha as breast cancer drug target

Ligand

B3LYP

PBE0

MN12SX

Altertoxin X

0.6713

1.0911

0.0201

Cladosporol H

0.6030

1.0659

0.0277

17\(\upbeta\)-Estradiol

0.7288

1.2757

0.0591

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