Clindamycin Derivatives: Unveiling New Prospects as Potential Antitumor Agents.

ABSTRACT: This study delves into the exploration of Clindamycin derivatives, specifically compounds 3 and 3e, to unveil their antitumor potential by employing a multidisciplinary approach. Screening a repertoire of 200 Clindamycin-associated targets pinpointed the Family A G-protein-coupled receptor as a prominent antitumor candidate. Subsequent analyses unearthed 16 pertinent antitumor proteins, with compound 3 exhibiting robust affinity towards a specific protein via stable hydrogen bonding. Molecular dynamics simulations underscored the adrenergic receptor β as a pivotal target, primarily situated in the plasma membrane and endoplasmic reticulum. These revelations hint towards compound 3's potential to bolster natural defense mechanisms against tumors by modulating imm

SUBMITTER: Jia Y 

PROVIDER: S-EPMC10974249 | biostudies-literature | 2024 Feb

REPOSITORIES: biostudies-literature