Ligand based pharmacophore modelling and integrated computational approaches in the quest for small molecule inhibitors against hCA IX.

ABSTRACT: Carbonic anhydrase IX is an important biomarker to fight hypoxic tumours in both initial and metastatic stages of many forms of cancer. Overexpression of hCA IX in the hypoxic environment, has an active role in pH maintenance and makes the hCA IX a better target for the inhibitors targeting specific types of cancer stages. Being a member of the carbonic anhydrase family and having sixteen isoforms, it is important to have a selective inhibition of hCA IX to limit the disruption in the biological and metabolic pathways where other isoforms of hCA are localised and to avoid the other toxicity and adverse effects we try to find selective hCA IX inhibitors from a natural derivative. In the process of finding selective hCA inhibitors we developed a pharmacophore model based on existing inhibito

SUBMITTER: Saravanan V 

PROVIDER: S-EPMC10801456 | biostudies-literature | 2024 Jan

REPOSITORIES: biostudies-literature