Design and ADMET Study of New Theoretical Molecules of Thiourea Derivatives with Potential Anticancer Activities of the Breast of the  MCF-7 Strain

Siriki DOUMBIA; Niameke Jea Baptiste KANGAH; Georges Stephane Dembele; Nanou Tieba Tuo; Charles Guillaume Kodjo

doi:10.9734/CSJI/2025/v34i5998

Research Article Open access CC BY 4.0

Design and ADMET Study of New Theoretical Molecules of Thiourea Derivatives with Potential Anticancer Activities of the Breast of the MCF-7 Strain

Siriki DOUMBIA, Niameke Jea Baptiste KANGAH, Georges Stephane Dembele, Nanou Tieba Tuo, Charles Guillaume Kodjo

Chemical Science International Journal · pp. 159–172 · Published 31 Oct 2025

10.9734/CSJI/2025/v34i5998

Abstract

The objective of this work is to design in silico new thiourea derivatives with improved potential anticancer activities of the breast of the MCF-7 strain. Fifty (50) new molecules were generated. All the generated compounds belong to the applicability domain of the model. Only three (3) compounds have values of anticancer activity of the breast higher than that of the most active basic molecule and can be formed spontaneously. But only two (2) molecules respect the Lipinski rules. The study of absorption, distribution, metabolism, excretion and toxicity (ADMET) parameters showed that these two (2) new thiourea derivative compounds have a good pharmacokinetic profile, therefore can be administered orally and used as drugs in the treatment of breast cancer.

Breast cancer thiourea derivatives Lipinski's rules area of applicability ADMET

Cited by 0

No indexed citations yet.

Reproductive Factors Associated with the Risk of Breast Cancer among Malaysian Women: A Multi-Centre Case-Control Study — shares topic coverage
Factors Predicting the Utilization of Breast Cancer Screening Services among Women Working in a Private University in Ogun State, Nigeria — shares topic coverage
Breast Cancer Screening Trend Year 2017 among South-Western Nigeria Female Residents — shares topic coverage
Complementary Medicine Intervention in Breast Cancer Patients with Pain — shares topic coverage
Breast Cancer Knowledge and Mammography Uptake among Women Aged 40 Years and Above in Calabar Municipality, Nigeria — shares topic coverage

Access this article

View at publisher

Cite this article

Siriki DOUMBIA, Niameke Jea Baptiste KANGAH, Georges Stephane Dembele, Nanou Tieba Tuo, Charles Guillaume Kodjo (2025). Design and ADMET Study of New Theoretical Molecules of Thiourea Derivatives with Potential Anticancer Activities of the Breast of the MCF-7 Strain. Chemical Science International Journal , 159–172. https://doi.org/10.9734/CSJI/2025/v34i5998

Affiliations

Siriki DOUMBIA — Laboratory of Thermodynamics and Physico-Chemistry of the Environment, Nangui Abrogoua University, Abidjan, Ivory Coast.
Niameke Jea Baptiste KANGAH — Laboratory of Thermodynamics and Physico-Chemistry of the Environment, Nangui Abrogoua University, Abidjan, Ivory Coast.
Georges Stephane Dembele — Laboratory of Thermodynamics and Physico-Chemistry of the Environment, Nangui Abrogoua University, Abidjan, Ivory Coast and Ivorian Disease Modeling Research Group (GIR2M), Nangui Abrogoua University, Abidjan, Ivory Coast.
Nanou Tieba Tuo — Department of Training and Research in Chemical and Agro-Food Engineering, Félix Houphouet Boigny National Polytechnic Institute of Yamoussoukro, Ivory Coast.
Charles Guillaume Kodjo — Laboratory of Thermodynamics and Physico-Chemistry of the Environment, Nangui Abrogoua University, Abidjan, Ivory Coast.

Metrics

0
Views: 0
Downloads: 0
Citations: 0
Outbound

Full metrics

Article metrics

Real usage data collected on this platform.

0

Page views

0

PDF downloads

0

Outbound clicks

0

Citations

Views by country

Approximate, from request IP at view time — not citizenship or institution. Countries with fewer than 5 views are grouped as "Other".

No views recorded yet.

Traffic sources

Referring site, by host.

No traffic recorded yet.

Views and downloads exclude known bots/crawlers. Citations combines this platform's own DOI-resolved index with each external source's own reported total — see Cited by above for individually listed citing works. Last refreshed 0 seconds ago.