Aug 2026· Biotechnology Notes· Vol 7, pp. 156 - 167· 0 citations· 46 references
Medicine
TL;DR
This research aimed to demonstrate the activity of several promising benzanilide molecules, showing promising growth-inhibitory cytotoxic actions with increasing concentrations against EGFR in breast cancer.
Abstract
The benzanilide scaffold is well known for its biological activities, such as antifungal, antibacterial, herbicide, and anti-tumor activity. Benzanilides with halogen substitution were computationally designed and screened against EGFR kinase, with erlotinib as a reference compound, using molecular docking. Two compounds were synthesized by the Schotten-Baumann reaction and confirmed based on FT-IR spectrophotometry, TLC, and sharp, narrow-range melting point analyses. The synthesized compounds were tested for antiproliferative activity and acute toxicity using the MTT assay with the (MCF-7) human breast cancer cell line. The effect of the compounds on non-cancerous cells in the human body was tested using blood lymphocytes. The mechanism of action evaluated by an in vitro cytotoxicity study revealed IC50 values of compound A = 75.54 ± 4.7 μM and compound B = 178.5 ± 9.0 μM (mean ± SEM, n = 3), showing promising growth-inhibitory cytotoxic actions with increasing concentrations against EGFR in breast cancer. Docking studies revealed that synthesized compounds interacted with a similar enzyme and ATP binding site of EGFR-TK in the reference drug erlotinib, along with additional strong interactions indicating efficacy and potency. To predict better tolerability and late failure, toxicity predictions were made for the synthesized compounds. Therefore, this research aimed to demonstrate the activity of several promising benzanilide molecules.
Among the synthesized compounds, PBc1 exhibited the greatest in vitro antiproliferative activity against both MDA-MB-231 and SK-OV-3 cell lines, suggesting that PBc1 is a promising compound for further biological and mechanistic investigation.
Prachita Gauns Dessai, Parixit J. Bhandurge, C. Nazareth et al.· Journal of the Iranian Chemi...· 0 citations
It is suggested that amentoflavone has potential as a natural lead compound for further optimization and development of ERα-targeted therapies in ER-positive breast cancer.
D. S. F. Ramadhan, Nurisyah Nurisyah, Asyhari Asyikin et al.· Indonesian Journal of Chemis...· 0 citations
We herein report the anticancer activity and molecular docking studies of a series of amide derivatives of two nonsteroidal anti-inflammatory drugs (mefenamic acid and ibuprofen). The hypothesis of drug repurposing has been successfully employed to explore the promising anticancer activity of analogs of known anti-inflammatory agents. The compounds have been tested for their inhibitory potential against cervical cancer cell lines by MTT assay using 5-fluorouracil as the reference standard. Among the compounds screened, 3aa [2-(2,3-dimethylamino)phenyl)(1H-indol-1-yl)methanone] and 3ad [2-(2,3-dimethylphenylamino)phenyl)(9H-carbazol-9-yl)methanone] displayed good potency of less than 25 µg/mL half-maximal inhibitory concentration (IC50). The docking analysis has confirmed that molecule 3aa effectively binds to the active site of the target protein CDK2, with a docking score of −9.21 Kcal/mol and a binding energy of −46.44 Kcal/mol, involving a hydrogen bond with Ile 10. The molecule 3ad also exhibited a good glide score of −6.78 Kcal/mol with the binding energy of −45.90 Kcal/mol. As many of the tested compounds displayed promising potency against cervical cancer cell lines, our investigation revealed the importance of drug repurposing in the development of lead molecules in medicinal chemistry.
Nivedya Prasad SreeNilayam, J. Abhithaj, S. Remeshan et al.· Biophysica· 0 citations
This study aimed to develop novel CDK2 inhibitors with potent antimelanoma activity. Accordingly, a series of 2‐thioxothiazolyl pyrazoles (2–11) was rationally designed through molecular hybridization and synthesized using efficient and straightforward synthetic procedures. The structures of the synthesized compounds were confirmed by IR, NMR, mass spectrometry, and elemental analyses. All compounds were evaluated by the NCI, USA, against the 60‐human cancer cell line panel at a single dose (10 µM). The preliminary screening revealed promising antiproliferative activity, particularly against melanoma cell lines, with compound
11
exhibiting the highest growth inhibition against LOX‐IMVI and MALME‐3 M cells (21.60% and 49.41%, respectively). Based on these results, compounds
2, 4,
and
11
were further evaluated by the MTT assay. Compound
11
exhibited the greatest cytotoxicity, with IC
50
values of 3.82 and 2.52 µM against LOX‐IMVI and MALME‐3 M cells, respectively, superior to doxorubicin and 5‐fluorouracil, together with excellent selectivity (SI = 12.14 and 18.40). Moreover, compound
11
potently inhibited CDK2 (IC
50
= 1.07 µM), approaching the activity of roscovitine (IC
50
= 0.84 µM), and induced cell cycle arrest at G1‐phase, besides promoting intrinsic apoptosis (23‐ to 40‐fold) in MALME‐3 M cells. These findings identify compound
11
as a promising selective CDK2‐targeted lead for melanoma therapy.
A. Hassan, S. El‐Sebaey, Moshira A. El Deeb et al.· ChemistrySelect· 0 citations
Compound 4v emerged as a leading candidate, showing EGFR kinase inhibitory activity comparable to Erlotinib, and computational analysis of 4v and EGFR molecular binding suggests that it serves as a superior binder to the inactive EGFR conformation.
Amr Elagamy, Mohamed S. Nafie, Ahmed Elnahrawy et al.· European journal of medicina...· 0 citations
Pyrazoles and chalcones have been extensively studied over time due to their broad range of therapeutic potentials. In this study, a new series of pyrazole-carboxylate derivatives were synthesized, characterized, and evaluated for their antibacterial, anticancer and anti-inflammatory activities. Among the synthesized derivatives, compound 5a exhibited significant percentage inhibition in colony counting assay. Compound 5c demonstrated significant cytotoxic activity with an IC50 value of 9.91 µg mL−1, while also exhibiting lower cytotoxicity towards non-cancerous HEK-293T cells (IC50 = 36.31 µg mL−1), indicating favourable selectivity. Mechanistic studies, including DAPI staining and flow cytometric analysis, indicated that compounds 5c and 5f inhibited cancer cell growth predominantly by inducing apoptosis rather than cell cycle arrest. Anti-inflammatory activity was determined using protein denaturation assay where compound 5f demonstrated promising activity with an IC50 value of 59.37 ± 0.149 µg mL−1. Furthermore, molecular docking analysis further provided insights into the binding interactions of the derivatives and the targeted protein. In addition, drug-likeness evaluation using swissADME indicates that the compounds satisfied Lipinski's rule of five.
Rachel Alveera Menezes, Navas Shereef Ellyan, M. M. et al.· RSC Advances· 0 citations
