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Table 2 Molecular docking results of temozolomide with ABCA1 and human serum albumin (HSA)

From: Drug metabolism-related gene ABCA1 augments temozolomide chemoresistance and immune infiltration abundance of M2 macrophages in glioma

PDB

Molecule

S

Rmsd_refine

E_confo

E_place

E_score1

E_refine

ABCA1

_5XJY

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− 7.2662

1.1088

− 254.9061

− 48.9719

− 10.6095

60.8538

ABCA1

_7ROQ

− 5.5759

1.4952

− 263.7835

− 62.8099

− 8.5023

82.9998

ABCA1

_7TBY

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− 5.0127

1.2826

− 263.6897

− 66.9917

− 8.3575

− 0.6379

HAS

_3B9L

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− 4.9861

1.1354

− 262.1237

− 61.6598

− 10.6449

− 5.7354

HAS

_3JRY

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− 4.7540

2.3088

− 255.9423

− 54.4165

− 8.8933

− 16.5218

HAS

_6EZQ

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− 4.5677

0.6975

− 254.7766

− 67.7218

− 9.9736

− 1.5844