2. Academic Validation
  3. Synthesis, molecular docking and anticancer studies of peptides and iso-peptides

Synthesis, molecular docking and anticancer studies of peptides and iso-peptides

  • Bioorg Med Chem Lett. 2015 Aug 1;25(15):2980-4. doi: 10.1016/j.bmcl.2015.05.020.
Farukh Jabeen 1,  Siva S Panda 2,  Tamara P Kondratyuk 3,  Eun-Jung Park 3,  John M Pezzuto 3,  Ihsan-ul-Haq 4,  C Dennis Hall 5,  Alan R Katritzky 6
Affiliations

Affiliations

  • 1 Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611-7200, USA; Department of Chemistry, Quaid-i-Azam University, Islamabad 44000, Pakistan.
  • 2 Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611-7200, USA. Electronic address: sspanda12@gmail.com.
  • 3 College of Pharmacy, University of Hawii at Hilo, Hilo, HI, USA.
  • 4 Department of Pharmacy, Quaid-i-Azam University, Islamabad 44000, Pakistan.
  • 5 Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611-7200, USA.
  • 6 Center for Heterocyclic Compounds, Department of Chemistry, University of Florida, Gainesville, FL 32611-7200, USA; Chemistry Department, King Abdulaziz University, Jeddah 21589, Saudi Arabia.
PMID: 26048799 DOI: 10.1016/j.bmcl.2015.05.020
Abstract

Chiral Peptides and iso-peptides were synthesized in excellent yield by using benzotriazole mediated solution phase synthesis. Benzotriazole acted both as activating and leaving group, eliminating frequent use of protection and subsequent deprotection. The procedure was based on the hypothesis that epimerization should be suppressed in solution due to a faster coupling rate than SPPS. All the synthesized Peptides complied with Lipinski's Ro5 except for the rotatable bonds. Inhibition of cell proliferation of Cancer cell lines is one of the most commonly used methods to study the effectiveness of any Anticancer agents. Synthesized Peptides and iso-peptides were tested against three Cancer cell lines (MCF-7, MDA-MB 231) to determine their anti-proliferative potential. NFkB was also determined. Molecular docking studies were also carried out to complement the experimental results.

Keywords

Anti-cancer; Benzotriazole; Molecular docking; Peptides; iso-Peptides.

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