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Table 1 Illustrating the binding affinity and structure of four selected compounds along with the control molecule

From: Marine fungal diversity unlocks potent antivirals against monkeypox through methyltransferase inhibition revealed by molecular dynamics and free energy landscape

S. No.

Compound name

Binding affinity

Structure

1

Methyltransferase VP39- CMNPD15724

− 9.4 kcal/mol

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2

Methyltransferase VP39-CMNPD28811

− 8.9 kcal/mol

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3

Methyltransferase VP39-CMNPD30883

− 9.2 kcal/mol

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4

Methyltransferase VP39-CMNPD18569

− 9.4 kcal/mol

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5

Methyltransferase VP39- sinefungin (Control)

-8.9 kcal/mol

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