Article

Virtual screening of the potential hCA XII inhibitors based on the pharmacophore modelling, molecular docking, MMGBSA and molecular dynamics simulations studies

2021-04-08

Abstract excerpt

Human carbonic anhydrase XII (hCA XII) has gained therapeutic value in the field of medicinal chemistry as a pharmacological target and biomarker for different types of cancer. Despite the fact that interaction features of hCAs inhibitors with the catalytic site of the enzyme are well described, lack in the selectivity of the traditional hCA inhibitors is an urgent issue. This study was devoted to the identificati...

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Literature Corpus work: c3dbcae6-148d-529f-8dae-12aca0d8ab13
DOI: 10.21203/rs.3.rs-394808/v1

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