Syntheses, quantum mechanical modeling, biomolecular interaction and in vitro anticancer – Tubulin activity of thiosemicarbazones

[Display omitted] A new series of thiosemicarbazones were designed and synthesized. Their structures were confirmed by spectral characterization and single crystal XRD studies. Compounds MTSC-2 and ETSC-3 crystallized in the orthorhombic crystal system with space group Pbc21 andPca21respectively. De...

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Veröffentlicht in:	Bioorganic chemistry 2020-09, Vol.102, p.104081-104081, Article 104081
Hauptverfasser:	Xavier, Janet Sabina, Jayabalan, Karthikeyan, Ragavendran, V., NityanandaShetty, A.
Format:	Artikel
Sprache:	eng
Schlagworte:	Anticancer activity Antineoplastic Agents - pharmacology Antineoplastic Agents - therapeutic use Density functional theory Drug Design Humans Molecular docking Molecular Docking Simulation - methods Molecular Structure Single crystal XRD Structure-Activity Relationship Thiosemicarbazones Thiosemicarbazones - pharmacology Thiosemicarbazones - therapeutic use Tubulin Tubulin - pharmacology Tubulin - therapeutic use
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