In–Vitro Anticancer and Antibacterial Activities of Brominated Indeno[1,2‐b]qinoline Amines Supported with Molecular Docking and MCDM

• Published in: ChemistrySelect (Weinheim) 2021-04, Vol.6 (13), p.3286-3295
• Main Authors: Aydın, Ali, Ökten, Salih, Erkan, Sultan, Bulut, Merve, Özcan, Evrencan, Tutar, Ahmet, Eren, Tamer
• Format: Article
• Language: English
• Subjects: Antibacterial agents; Antitumor agents; Biological activity; Indeno[1,2-b]quinoline amine; Molecular docking; Multi criteria decision making
• ISSN: 2365-6549; 2365-6549
• DOI: 10.1002/slct.202004753

The present study describes mono substituted indeno[1,2‐b]quinolines (3 a–c and 5) have much more antiproliferative potentials than positive controls against A549, HeLa, MCF7 and Hep3B cell lines (IC50 values 1.1–29.6 μg/mL) and show similar cytotoxicity (14.3 % to 19.8 %) to cells such as controls. Moreover, the mono substituted indeno[1,2‐b]quinoline amines (3 a–c and 5) exhibit significant antimicrobial activity with MIC values between 15.62 μg/mL and 250 μg/mL. The compounds can also bind to DNA in the groove binding mode with a binding constant range of 1.1×103–1.1×105 M−1. The anticancer and antibacterial properties of compounds were confirmed with the molecular docking simulation for their pharmacokinetic. As a result, the preliminary experimental data and a multi‐criteria decision‐making methodology (MCDM) indicated that the mono substituted indeno[1,2‐b]quinoline amine derivatives, especially 3 a and 5, exhibit effective pharmacological properties. parameters and their interaction with related cells at the molecular level. The study presents the antiproliferative activity, cytotoxicity and DNA binding capacity of the currently synthesized indeno[1,2‐b]quinoline amine derivatives at against A549, HeLa, MCF7 and Hep3B cancer cell lines, their inhibition activities against eight Gram (+) and Gram (‐) bacterial strains. In addition, the results of inhibition against both cancer cells and bacterial strains were confirmed by molecular docking calculation sand the results obtained in cancer studies were evaluated with a multi‐criteria decision making methodology (MCDM).