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Table 1 Binding affinity and predicted binding pocket of docked compounds

From: Structure-based and ligand-based virtual screening of novel methyltransferase inhibitors of the dengue virus

Compound ID

Virtual screening

Binding pocket

Binding affinity (kcal/mol)

SPH1-103-799

EDULISS

RNA cap

-7.8

SPH1-101-102

EDULISS

RNA cap

-7.8

SPH1-027-074

EDULISS

RNA cap

-7.7

SPH1-014-180

EDULISS

RNA cap

-7.6

SPH1-047-692

EDULISS

RNA cap

-7.6

SPH1-000-259

EDULISS

RNA cap

-7.6

SPH1-013-274

EDULISS

RNA cap

-7.5

SPH1-013-272

EDULISS

RNA cap

-7.5

SPH1-013-273

EDULISS

RNA cap

-7.5

SPH1-013-271

EDULISS

RNA cap

-7.5

28SPH1-115-917

LIDAEUS

RNA cap

-7.9

35SPH1-021-288

LIDAEUS

RNA cap

-7.8

28SPH1-185-015

LIDAEUS

RNA cap

-7.8

28SPH1-149-718

LIDAEUS

RNA cap

-7.6

28SPH1-026-800

LIDAEUS

RNA cap

-7.6

28SPH1-024-902

LIDAEUS

RNA cap

-7.5

28SPH1-081-432

LIDAEUS

RNA cap

-7.5

29SPH1-063-033

LIDAEUS

RNA cap

-7.3

28SPH1-024-902

LIDAEUS

RNA cap

-7.3

28SPH1-348-781

LIDAEUS

RNA cap

-7.3

SPH1-007-088

EDULISS

SAM

-11.4

SPH1-111-460

EDULISS

SAM

-11.4

SPH1-177-492

EDULISS

SAM

-11.0

SPH1-020-782

EDULISS

SAM

-10.6

SPH1-016-182

EDULISS

SAM

-10.5

SPH1-159-983

EDULISS

SAM

-10.5

SPH1-129-393

EDULISS

SAM

-10.4

SPH1-031-492

EDULISS

SAM

-10.3

SPH1-107-521

EDULISS

SAM

-10.3

SPH1-297-578

EDULISS

SAM

-10.3

25SPH1-103-433

LIDAEUS

SAM

-10.0

25SPH1-103-428

LIDAEUS

SAM

-9.9

42SPH1-001-864

LIDAEUS

SAM

-9.8

25SPH1-103-428

LIDAEUS

SAM

-9.8

42SPH1-001-481

LIDAEUS

SAM

-9.5

42SPH1-001-925

LIDAEUS

SAM

-9.5

25SPH1-108-370

LIDAEUS

SAM

-9.3

42SPH1-013-393

LIDAEUS

SAM

-9.2

25SPH1-102-225

LIDAEUS

SAM

-9.1

25SPH1-102-901

LIDAEUS

SAM

-8.2