PMID- 28028928 OWN - NLM STAT- MEDLINE DCOM- 20180417 LR - 20180417 IS - 1522-7243 (Electronic) IS - 1522-7235 (Linking) VI - 32 IP - 5 DP - 2017 Aug TI - New phthalimide-appended Schiff bases: Studies of DNA binding, molecular docking and antioxidant activities. PG - 829-838 LID - 10.1002/bio.3259 [doi] AB - Herein, we investigated new phthalimide-based Schiff base molecules as promising DNA-binding and free radical scavenging agents. Physicochemical properties of these molecules were demonstrated on the basis of elemental analysis, ultraviolet-visible (UV-Vis), infra-red (IR), (1) H and (13) C nuclear magnetic resonance (NMR) spectroscopy. All spectral data are agreed well with the proposed Schiff base framework. The DNA-binding potential of synthesized compounds were investigated by means of UV-visible, fluorescence, iodide quenching, circular dichroism, viscosity and thermal denaturation studies. The intrinsic binding constants (K(b) ) were calculated from absorption studies were found to be 1.1 x 10(4) and 1.0 x 10(4) M(-1) for compounds 2a and 2b suggesting that compound 2a binding abilities with DNA were stronger than the compound 2b. Our studies showed that the presented compounds interact with DNA through groove binding. Molecular docking studies were carried out to predict the binding between Ct-DNA and test compounds. Interestingly, in silico predictions were corroborated with in vitro DNA-binding conclusions. Furthermore, the title compounds displayed remarkable antioxidant activity compared with reference standard. CI - Copyright (c) 2016 John Wiley & Sons, Ltd. FAU - Nayab, Pattan Sirajuddin AU - Nayab PS AD - Department of Chemistry, Jamia Millia Islamia, New Delhi, India. FAU - Akrema AU - Akrema AD - Department of Chemistry, Jamia Millia Islamia, New Delhi, India. FAU - Ansari, Istikhar A AU - Ansari IA AD - Department of Chemistry, Aligarh Muslim University, Aligarh, India. FAU - Shahid, Mohammad AU - Shahid M AD - Department of Chemistry, Aligarh Muslim University, Aligarh, India. FAU - Rahisuddin AU - Rahisuddin AD - Department of Chemistry, Jamia Millia Islamia, New Delhi, India. LA - eng PT - Journal Article DEP - 20161228 PL - England TA - Luminescence JT - Luminescence : the journal of biological and chemical luminescence JID - 100889025 RN - 0 (Antioxidants) RN - 0 (Biphenyl Compounds) RN - 0 (Iodides) RN - 0 (Phthalimides) RN - 0 (Picrates) RN - 0 (Schiff Bases) RN - 9007-49-2 (DNA) RN - BBX060AN9V (Hydrogen Peroxide) RN - DFD3H4VGDH (1,1-diphenyl-2-picrylhydrazyl) SB - IM MH - Antioxidants/*chemistry MH - Biphenyl Compounds/chemistry MH - Circular Dichroism MH - DNA/chemistry/*metabolism MH - Hydrogen Peroxide/chemistry MH - Inhibitory Concentration 50 MH - Iodides/chemistry MH - Magnetic Resonance Spectroscopy MH - Molecular Docking Simulation MH - Osmolar Concentration MH - Phthalimides/*chemistry/metabolism MH - Picrates/chemistry MH - Schiff Bases/*chemistry/metabolism MH - Spectrophotometry, Infrared MH - Spectrophotometry, Ultraviolet MH - Spectroscopy, Fourier Transform Infrared MH - Viscosity OTO - NOTNLM OT - DNA binding OT - Schiff base OT - antioxidant OT - molecular docking EDAT- 2016/12/29 06:00 MHDA- 2018/04/18 06:00 CRDT- 2016/12/29 06:00 PHST- 2016/07/29 00:00 [received] PHST- 2016/10/22 00:00 [revised] PHST- 2016/10/26 00:00 [accepted] PHST- 2016/12/29 06:00 [pubmed] PHST- 2018/04/18 06:00 [medline] PHST- 2016/12/29 06:00 [entrez] AID - 10.1002/bio.3259 [doi] PST - ppublish SO - Luminescence. 2017 Aug;32(5):829-838. doi: 10.1002/bio.3259. Epub 2016 Dec 28.