Synthesis, anticancer, structural, and computational docking studies of 3-benzylchroman-4-one derivatives

Lalitha Simon, Abdul Ajees Abdul Salam, S. Madan Kumar, T. Shilpa, K. K. Srinivasan, K. Byrappa

Research output: Contribution to journalArticle

4 Citations (Scopus)

Abstract

A series of 3-Benzylchroman-4-ones were synthesized and screened for anticancer activity by MTT assay. The compounds were evaluated against two cancerous cell lines BT549 (human breast carcinoma), HeLa (human cervical carcinoma), and one noncancerous cell line vero (normal kidney epithelial cells). 3b was found to be the most active molecule against BT549 cells (IC50 = 20.1 µM) and 3h against HeLa cells (IC50 = 20.45 µM). 3b also exhibited moderate activity against HeLa cells (IC50 = 42.8 µM). The molecular structures of 3h and 3i were solved by single crystal X-ray crystallographic technique. Additionally, the molecular docking studies between the tumour suppressor protein p53 with the lead compound 3h, which exhibited better anticancer activity against HeLa cells was examined.

Original languageEnglish
Pages (from-to)5284-5290
Number of pages7
JournalBioorganic and Medicinal Chemistry Letters
Volume27
Issue number23
DOIs
Publication statusPublished - 01-12-2017

Fingerprint

Isoflavones
HeLa Cells
Inhibitory Concentration 50
Cells
Lead compounds
Derivatives
Tumor Suppressor Protein p53
Molecular structure
Cell Line
Assays
Single crystals
Molecular Structure
X rays
Molecules
Epithelial Cells
X-Rays
Breast Neoplasms
Carcinoma
Kidney

All Science Journal Classification (ASJC) codes

  • Biochemistry
  • Molecular Medicine
  • Molecular Biology
  • Pharmaceutical Science
  • Drug Discovery
  • Clinical Biochemistry
  • Organic Chemistry

Cite this

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abstract = "A series of 3-Benzylchroman-4-ones were synthesized and screened for anticancer activity by MTT assay. The compounds were evaluated against two cancerous cell lines BT549 (human breast carcinoma), HeLa (human cervical carcinoma), and one noncancerous cell line vero (normal kidney epithelial cells). 3b was found to be the most active molecule against BT549 cells (IC50 = 20.1 µM) and 3h against HeLa cells (IC50 = 20.45 µM). 3b also exhibited moderate activity against HeLa cells (IC50 = 42.8 µM). The molecular structures of 3h and 3i were solved by single crystal X-ray crystallographic technique. Additionally, the molecular docking studies between the tumour suppressor protein p53 with the lead compound 3h, which exhibited better anticancer activity against HeLa cells was examined.",
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Synthesis, anticancer, structural, and computational docking studies of 3-benzylchroman-4-one derivatives. / Simon, Lalitha; Abdul Salam, Abdul Ajees; Madan Kumar, S.; Shilpa, T.; Srinivasan, K. K.; Byrappa, K.

In: Bioorganic and Medicinal Chemistry Letters, Vol. 27, No. 23, 01.12.2017, p. 5284-5290.

Research output: Contribution to journalArticle

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AU - Abdul Salam, Abdul Ajees

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