Skip to main content

Design, synthesis, apoptotic antiproliferative, and antioxidant activities of a new series of 2-mercaptobenzimidazole/3-cyanopyridin-2-one hybrids as dual EGFR/BRAFV600E inhibitors

Research Abstract

A novel series of 2-mercaptobenzimidazole-based 3-cyanopyridin-2-one hybrids (7a–l) was designed and synthesized
as potential dual inhibitors of EGFR and BRAFV600E kinases. The antiproliferative activity was evaluated
against four human cancer cell lines (MCF-7, A-549, HT-29, and Panc-1) and a normal epithelial cell line (MCF-
10A). Compound 7c exhibited the highest potency (GI₅₀ = 6 μM) and was comparably effective to the reference
doxorubicin (GI50 = 5 μM) against the four cancer cell lines analyzed. Compound 7c also showed potent EGFR
(IC₅₀ = 0.12 μM) and BRAFV600E (IC₅₀ = 0.05 μM) inhibition, induced apoptosis via caspase-3/8/9 activation,
modulated Bax/Bcl-2 expression, and demonstrated strong antioxidant activity. Molecular docking, molecular
dynamics (MD) simulations, and DFT analyses revealed key pharmacophoric interactions within the ATP-binding
sites of EGFR and BRAFV600E kinases, while in silico ADME predictions supported drug-likeness and showed no
PAINS/Brenk structural alerts; however, these predictions do not establish safety, and experimental toxicology
will be required. These findings identify compound 7c as a promising dual-target lead candidate for further
optimization in anticancer drug development.

Research Authors
Lamya H. Al-Wahaibi, Hesham A. Abou-Zied, Bahaa G.M. Youssif, Stefan Brase, Mohamed Hisham
Research Date
Research Journal
Bioorganic Chemistry
Research Pages
109329
Research Publisher
Science direct
Research Rank
Pharmaceutical Chemistry, Q1
Research Vol
168
Research Year
2025

The Scientific Conference of Pharmaceutics Department, Faculty of Pharmacy on Sunday, April 6, 2024.

The the Pharmaceutics Department will hold its Scientific Conference This is on Monday, April 6, 2026, at 10:30 (AM). in the department board on the third floor under the chairmanship of the Faculty to discuss the topics that we will inform you later..

news category
خبر عام

Meeting of the Council of the Pharmaceutics Department, Faculty of This will take place on Monday, April 6, 2026, at 10:00 A.M

God willing, the meeting of the Pharmaceutics Department Board of the Faculty of Pharmacy No. (549), at the Faculty of Pharmacy, on Monday, April 6, 2026, at 10:00 A.M

in the department board on the third floor under the chairmanship of the Faculty to discuss the topics that we will inform you later.

news category
خبر عام

The Department of Medicinal Chemistry cordially invites you to attend a Scientific Seminar presented by Ms. Gehad abdelhady Ali Ahmed (Demonstrator at the Department)."

The Department of Medicinal Chemistry is pleased to invite you to a Scientific Seminar as part of its lecture and seminar program for the academic year 2025/2026.

Seminar Title:

"Ligand based Design and synthesis of potentially bioactive 3-spiro-2-oxo-2,3-dihydroindole scaffolds"

Presented by: Pharmacist Gehad abdelhady Ali Ahmed

Demonstrator at the Department of Medicinal Chemistry.

  • Date: Sunday, April 5, 2026.

  • Time: 11:00 AM.

  • Venue: Library of the Department of Medicinal Chemistry – Faculty of Pharmacy.

 

news category
خبر عام

Meeting of the Council of the Medicinal Chemistry Department, Faculty of Pharmacy This will take place on Sunday, April 5, 2026

God willing, The Medicinal Chemistry Department Council will hold its regular monthly meeting number (496), This will take place on Sunday, April 5, 2026, at 12:00 PM (noon) in the department library. 

 

news category
خبر عام

Important Announcement Course: Medicinal Chemistry – 2 For Third-Year Students (National University) will be hold on Tuesday, April 7, 2026

The Department announces the Classwork (Midterm) and Practical Theory Exam for the Medicinal Chemistry – 2 course.

Exam Schedule & Venue:

  • Date: Tuesday, April 7, 2026.

  • Time: 10:00 AM – 11:30 AM.

  • Location: Hall (1) and Hall (2).

news category
إعلانات الطلاب

Important Announcement Course: Pharmaceutical Organic Chemistry– 1 (Elective) For Pharm-D Students (Clinical Pharmacy – National University) will be hold on Wednesday, April 22, 2026

The Department hereby announces the First Midterm Exam (Classwork) covering the following topics:

  • Part 1 (Prof. Dr. Hajjaj Hassan Mohamed Abdu-Allah): The first three lectures.

  • Part 2 (Prof. Dr. Mostafa Ahmed Hussein Ahmed): The first two lectures, in addition to the first sheet of the practical part (Theoretical Lab) up to the "Glassware and Techniques" section.

 

Schedule & Venue:

  • Date: Wednesday, April 22, 2026.

  • Time: 2:00 PM – 3:00 PM.

  • Location:

    • Hall (A): For students (1 – 100).

    • Hall (B): For students (101 – End).

 

⚠️ Note: Strict adherence to the schedule is required. Please note that there will be no make-up exam for those who miss it.

news category
قسم الكيمياء العضوية

Important Announcement Phytotherapy and Aromatherapy: Year’s Work Exam Clinical Pharmacy Program – Level 5 (Semester 10)

The Year’s Work Exam for the course Phytotherapy and Aromatherapy (Semester 10) will be held for Clinical Pharmacy students on Monday, April 6, 2026.

  • Time: From 9:00 AM to 10:00 AM.

  • Location: Hall (1), located next to the Post Office.

news category
إعلانات الطلاب
Subscribe to