Advanced search
Publication Cover
Journal of Enzyme Inhibition and Medicinal Chemistry Volume 37, 2022 - Issue 1
Submit an article Journal homepage
1,196
Views
2
CrossRef citations to date
0
Altmetric
Research Papers

Triazoloquinoxalines-based DNA intercalators-Topo II inhibitors: design, synthesis, docking, ADMET and anti-proliferative evaluations

Alaa Elwana Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, EgyptORCID Iconhttps://orcid.org/0000-0003-4270-616XView further author information
ORCID Icon,
Helmy Sakra Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, EgyptView further author information
,
Abdel-Ghany A. El-Helbya Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, EgyptView further author information
,
Ahmed El-morsyb Pharmaceutical Chemistry Department, College of Pharmacy, The Islamic University, Najaf, IraqView further author information
,
Mohamed A. Abdelgawadc Department of Pharmaceutical Chemistry, College of Pharmacy, Jouf University, Sakaka, Saudi ArabiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0001-9035-5638View further author information
ORCID Icon,
Mohammed M. Ghoneimd Department of Pharmacy Practice, Faculty of Pharmacy, AlMaarefa University, Ad Diriyah, Saudi ArabiaORCID Iconhttps://orcid.org/0000-0002-9179-4373View further author information
ORCID Icon,
Mohamed El-Sherbinye Department of Basic Medical Sciences, College of Medicine, AlMaarefa University, Riyadh, Saudi Arabia;f Department of Anatomy, Faculty of Medicine, Mansoura University, Mansoura, EgyptORCID Iconhttps://orcid.org/0000-0002-2689-1409View further author information
ORCID Icon &
Khaled El-Adla Pharmaceutical Medicinal Chemistry & Drug Design Department, Faculty of Pharmacy (Boys), Al-Azhar University, Cairo, Egypt;g Chemistry Department, Faculty of Pharmacy, Heliopolis University for Sustainable Development, Cairo, EgyptCorrespondence[email protected] [email protected] [email protected]
ORCID Iconhttps://orcid.org/0000-0002-8922-9770View further author information
ORCID Icon show all
Pages 1556-1567 | Received 14 Mar 2022, Accepted 16 May 2022, Published online: 29 May 2022

Figures & data

Figure 1. Approved DNA intercalators derivatives main pharmacophoric groups.

Figure 1. Approved DNA intercalators derivatives main pharmacophoric groups.

Figure 2. Structures of imiquimod and EAPB0203.

Figure 2. Structures of imiquimod and EAPB0203.

Scheme 1. Target compounds 1–5 synthetic pathways.

Scheme 1. Target compounds 1–5 synthetic pathways.

Scheme 2. Target compounds 6 and 7a–g synthetic pathway.

Scheme 2. Target compounds 6 and 7a–g synthetic pathway.

Figure 3. DNA- doxorubicin binding; H-B are illustrated with dashed lines (blue).

Figure 3. DNA- doxorubicin binding; H-B are illustrated with dashed lines (blue).

Table 1. Ligands binding affinity (ΔG in Kcal/mole).

Figure 4. DNA-Topo II and 7e expected binding mode.

Figure 4. DNA-Topo II and 7e expected binding mode.

Figure 5. DNA-Topo II and 7c expected binding mode.

Figure 5. DNA-Topo II and 7c expected binding mode.

Figure 6. DNA-Topo II and 7b expected binding mode.

Figure 6. DNA-Topo II and 7b expected binding mode.

Table 2. New derivatives in vitro cell growth inhibitory action.

Table 3. The most potent derivatives; Topoisomerase II inhibitory activity and DNA binding affinity.

Table 4. In silico ADMET calculations.

Supplemental material

Supplemental Material

Download PDF (2.3 MB)

Related research

People also read lists articles that other readers of this article have read.

Recommended articles lists articles that we recommend and is powered by our AI driven recommendation engine.

Cited by lists all citing articles based on Crossref citations.
Articles with the Crossref icon will open in a new tab.