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 |