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Predicting the bioactivity of 2-alkoxycarbonylallyl esters as potential antiproliferative agents against pancreatic cancer (MiaPaCa-2) cell lines: GFA-based QSAR and ELM-based models with molecular docking.

Oluwatoba Emmanuel OyeneyinBabatunde Samuel ObadawoAdesoji Alani OlanrewajuTaoreed Olakunle OwolabiFahidat Adedamola GbadamosiNureni IpinlojuHelen Omonipo Modamori
Published in: Journal, genetic engineering & biotechnology (2021)
The QSAR and ELM models had good prognostic ability and could be used to predict the bioactivity of novel anti-proliferative drugs.
Keyphrases
  • molecular docking
  • molecular dynamics simulations
  • risk assessment