# Special Issue “Role of Molecular Dynamics Simulations and Related Methods in Drug Discovery”

**Authors:** Huanxiang Liu

PMC · DOI: 10.3390/ijms27010264 · International Journal of Molecular Sciences · 2025-12-26

## Full-text entities

- **Genes:** TTR (transthyretin) [NCBI Gene 7276] {aka AMYLD1, ATTR, CTS, CTS1, HEL111, HsT2651}, ORF1ab (ORF1a polyprotein;ORF1ab polyprotein) [NCBI Gene 43740578], SRC (SRC proto-oncogene, non-receptor tyrosine kinase) [NCBI Gene 6714] {aka ASV, SRC1, THC6, c-SRC, p60-Src}
- **Diseases:** Transthyretin Amyloidosis (MESH:C567782), amyloidosis (MESH:D000686), cancers (MESH:D009369), injury to (MESH:D014947)
- **Chemicals:** reactive oxygen species (MESH:D017382), Lipid (MESH:D008055), Novobiocin (MESH:D009675), Paxlovid (MESH:C000719967), phospholipid (MESH:D010743), Selinexor (MESH:C585161), ATP (MESH:D000255), sulfonamide (MESH:D013449), Nirmatrelvir (MESH:C000718217), sodium (MESH:D012964), potassium (MESH:D011188), EGCG (MESH:C045651), DAS-DFGO-I (-), O2- (MESH:D013481)
- **Species:** Severe acute respiratory syndrome coronavirus 2 (no rank) [taxon 2697049], Homo sapiens (human, species) [taxon 9606], Mycobacterium tuberculosis (species) [taxon 1773], Mycobacterium tuberculosis subsp. tuberculosis (subspecies) [taxon 182785]
- **Mutations:** V30M

## Full text

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## References

10 references — full list in the complete paper: https://tomesphere.com/paper/PMC12785668/full.md

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Source: https://tomesphere.com/paper/PMC12785668