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Table 1 Binding affinities (Kcal/mol) of MBZM-N-IBT against HSV target structures

From: Inhibition of herpes simplex virus-1 infection by MBZM-N-IBT: in silico and in vitro studies

PDB ID Targets Binding affinities
1KI3 Thymidine kinase of HSV1 − 5.2
3F0T Thymidine kinase of HSV1 − 4.9
1AT3 HSV-2 protease − 5.2
1NO7 Major capsid protein of HSV1  + 1.6
1URJ Single stranded DNA-binding protein (ICP8) from HSV1 − 9.8
5BQK C-terminal domain of ICP27 protein from HSV-1 − 8.2
2F5U UL25 DNA Packaging Protein from HSV1 − 8.7
2GUM Extracellular domain of glycoprotein B from HSV1 − 8.0
2GV9 DNA polymerase of HSV1 (UL42) − 7.9
4IOX DNA-packaging motor pUL15 C-terminal nuclease domain of HSV-1 − 8.3
3U82 Envelope glycoprotein D of HSV-1 − 6.8