Fig. 5: Mechanism of action and binding mode of BMS-262084. | Nature Communications

Fig. 5: Mechanism of action and binding mode of BMS-262084.

From: Simulations and active learning enable efficient identification of an experimentally-validated broad coronavirus inhibitor

Fig. 5: Mechanism of action and binding mode of BMS-262084.The alternative text for this image may have been generated using AI.

a Expected mechanism of action of β-lactam inhibitors applied to BMS-262084 inhibition of TMPRSS2. Relevant parts of the enzyme are depicted in green. b Binding mode of BMS-262084 to TMPRSS2 from MD simulations. Catalytic triad residues are depicted in black.

Back to article page