Supporting information

Synthesis, characterization, DNA-binding, photoclevage, cytotoxicity and docking studies of Co(III) mixed ligand complexes

Authors: Yata Praveen Kumar1, C. Shobha Devi1, N. Deepika1, Nazar MD Gabra, 1Nishant Jain2, Kotha Laxma Reddy, A. Srishailam and S. Satyanarayana1*

Affiliation: 1Department of Chemistry, Osmania University, INDIA 500007.

2Chemical Biology Division, Indian Institute of Chemical Technology, Hyderabad-50060.

*Address for correspondence: Prof. S. Satyanarayana,

Department of Chemistry, Osmania University, Hyderabad,

Andhra Pradesh, INDIA, PIN-500007

Phone: 91-40-2768233, e-mail:

Supplementary Data:

S1-S3: Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with complexes

Table T1. Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with Co(III) complexes.

1ST COMPLEX

Fig. S1: Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with complex (1).

2ND COMPLEX

Fig. S2: Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with complex (2).

3RD COMPLEX

Fig. S3: Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with complex (3).

Table T1. Hydrogen bonding interactions, Bond lengths, Dock Scores of B-DNA with Co(III) complexes.

Complex-1 / H –Bond Donor- Acceptor / Bond Length (Å) / Vander Waals interactions (Complex – DNA) / Bond Length (Å) / Gold Score Fitness:
Co(phen)2 2-hepip / O24-DG22:N7 / 3.011 / C25-DG22:C8 / 2.728 / 42.532
O25-DG22:N / 3.059 / H86-DC21:C3 / 2.554
C14-DT7:O4 / 2.668
C30- DT20:OP2 / 2.714
Complex-2 / H –Bond Donor- Acceptor / Bond Length (Å) / Vander Waals interactions (Complex – DNA) / Bond Length (Å) / Gold Score Fitness:
Co( bpy)2 2-hepip / O24- DC23:O5 / 2.715 / C4- DC23:C5 / 2.813 / 30.889
N17- DC23:OP1 / 2.841 / C4- DC23:C4 / 2.416
C5- DC23:O4 / 2.714
C16- DC23:O5 / 2.556
C65-DA5:O5 / 2.758
Complex-3 / H –Bond Donor- Acceptor / Bond Length (Å) / Vander Waals interactions (Complex – DNA) / Bond Length (Å) / Gold Score Fitness:
Co(dmb)2 2-hepip / N15-DC23:OP2 / 2.753 / C12-DC23:C1 / 2.305 / 23.887
C20- DG22:OP1 / 2.522
C38- DC23:C5 / 2.558
C39- DC23:C5 / 2.555
C43- DC23:C4 / 2.762
C6- DC23:O3 / 2.818
C54- DA5:C5 / 2.858

(Molecular docking done by using Gold dock 3.1-software)