Solomon Y. Effah
@syeffah.bsky.social
Reposted by Solomon Y. Effah
This was such a fun collab—great computational work by @syeffah.bsky.social to complement the experiments! #compchem
A research collaboration between the @arwalker.bsky.social and Nguyen Labs in the Journal of #MedicinalChemistry represents an important step toward developing therapeutic agents for heparanase-driven diseases. #wsuchemistry #drugdiscovery #ChemSky
doi.org/10.1021/acs....
doi.org/10.1021/acs....
Could Hydrophobicity of Sulfated Pseudo-Trisaccharides Derived from Repurposing Aminoglycoside Tobramycin Modulate the Enzymatic Activity of Heparanase?
Heparanase (HPSE) remodeling of the extracellular matrix makes it a crucial therapeutic target. The development of effective glycan-based HPSE inhibitors has been limited by bleeding and thromboemboli...
doi.org
June 13, 2025 at 5:17 PM
This was such a fun collab—great computational work by @syeffah.bsky.social to complement the experiments! #compchem
Reposted by Solomon Y. Effah
Another @markahix.bsky.social paper! We explore the dynamics of 3/4 nucleotide hairpin loops. Flexibility of the sugar rings relative to sequence drive cytosine flipping for subsequent APOBEC3A deamination. See SI for big data! pubs.rsc.org/en/content/a...
#chemsky #proteinsky #moleculardynamics
#chemsky #proteinsky #moleculardynamics
DNA hairpin base-flipping dynamics drives APOBEC3A recognition and selectivity
APOBEC3A is a deoxycytidine deaminase which acts preferentially upon a 5′-TC-3′ motif, and was recently shown to prefer hairpin loops over unstructured single-stranded DNA. However, the underlying mol...
pubs.rsc.org
May 15, 2025 at 4:52 PM
Another @markahix.bsky.social paper! We explore the dynamics of 3/4 nucleotide hairpin loops. Flexibility of the sugar rings relative to sequence drive cytosine flipping for subsequent APOBEC3A deamination. See SI for big data! pubs.rsc.org/en/content/a...
#chemsky #proteinsky #moleculardynamics
#chemsky #proteinsky #moleculardynamics
Reposted by Solomon Y. Effah
How do fluorescent tags interact with DNA? We use computational simulations to find specific features that lead to charge-transfer on the excited state. Now out in JCIM, special edition: Editing DNA and RNA through computation (gift link): pubs.acs.org/articlesonre...
March 3, 2025 at 5:21 PM
How do fluorescent tags interact with DNA? We use computational simulations to find specific features that lead to charge-transfer on the excited state. Now out in JCIM, special edition: Editing DNA and RNA through computation (gift link): pubs.acs.org/articlesonre...