Design, synthesis, <i>in vitro</i>, and <i>in silico</i> studies of novel isatin-hybrid hydrazones as potential triple-negative breast cancer agents
Iqra Munir, Zahra Batool, Faizullah Khan, Javid Hussain, Ajmal Khan, Suraj N. Mali, V.R. Vishnu, Bijo Mathew, Tahani Mazyad Almutairi, Ahmed Al‐Harrasi, Muhammad Safwan Akram, Zahid Shafiq
Abstract
value of 15.8 ± 0.6 μM. Molecular dynamics and molecular docking simulations were performed to get a deeper understanding of the interactions between the synthesized compounds and cancer cells.
Topics & Concepts
IsatinTriple-negative breast cancerConjugateIn silicoMonoclonal antibodyChemistryAntibodyIn vitroCombinatorial chemistryBreast cancerCancer researchCancerComputational biologyStereochemistryBiologyBiochemistryImmunologyMathematicsOrganic chemistryGeneticsMathematical analysisGeneSynthesis and biological activityClick Chemistry and ApplicationsCancer therapeutics and mechanisms