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Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX.
RSC Adv. 2024 Jan 22;14(5):3346-3358. doi: 10.1039/d3ra08618f. eCollection 2024 Jan 17.
RSC Adv. 2024.
PMID: 38259989
Free PMC article.
Identification of novel CA IX inhibitor: Pharmacophore modeling, docking, DFT, and dynamic simulation.
Packiapalavesam SD, Saravanan V, Mahajan AA, Almutairi MH, Almutairi BO, Arockiaraj J, Kathiravan MK, Karthick Raja Namasivayam S.
Packiapalavesam SD, et al.
Comput Biol Chem. 2024 Jun;110:108073. doi: 10.1016/j.compbiolchem.2024.108073. Epub 2024 Apr 17.
Comput Biol Chem. 2024.
PMID: 38678727
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