Discovery of novel pyrrolo[2,3-d]pyrimidine derivatives as anticancer agents: virtual screening and molecular dynamic studies DOI
Sunny Dhiman, Swati Gupta, Sushil K. Kashaw

et al.

SAR and QSAR in environmental research, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 33

Published: Nov. 28, 2024

CDK/Cyclins are dysregulated in several human cancers. Recent studies showed inhibition of CDK4/6 was responsible for controlling cell cycle progression and cancer growth. In the present study, atom-based field-based 3D-QSAR, virtual screening, molecular docking dynamics were done development novel pyrrolo[2,3-d]pyrimidine (P2P) derivatives as anticancer agents. The developed models good

Language: Английский

Thienopyrimidine: A promising scaffold in the development of kinase inhibitors with anticancer activities DOI
Yunhe Liu, Ziyue Wang, Yifei Du

et al.

Bioorganic & Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 118109 - 118109

Published: Feb. 1, 2025

Language: Английский

Citations

0
Potential bidirectional regulatory effects of botanical drug metabolites on tumors and cardiovascular diseases based on the PI3K/Akt/mTOR pathway DOI Creative Commons
Shenglin Ma,

Yongmei Liu,

Jie Wang

et al.

Frontiers in Pharmacology, Journal Year: 2025, Volume and Issue: 16

Published: March 24, 2025

Pharmacological interventions targeting the phosphatidylinositol-3-kinase/protein kinase B/mammalian target of rapamycin (PI3K/Akt/mTOR) signaling pathway are predominantly employed as anticancer therapies, yet they frequently associated with significant cardiac toxicity. Additionally, PI3K/Akt/mTOR plays a crucial role in treatment cardiovascular diseases, highlighting its dual significance both oncology and cardiology. Therefore, has become an ideal for studying cardioprotection, effects, their Botanical drugs have emerged source developing therapeutic agents cardioprotective often exhibiting bidirectional protective properties. Consequently, this study investigates regulatory influence botanical drug metabolites cardiology via pathway. The research indicated that critical pathogenesis tumors diseases. Ruscogenin, Sulforaphane, Naringenin, Kaempferol, Poncirin, Puerarin can improve cancer by inhibiting phosphorylation levels within cascade. Moreover, also provide effects injury conditions activating dynamics key components pathway, particularly Akt, along functional implications different sites, may offer new strategies insights mitigation cardiotoxicity therapies.

Language: Английский

Citations

0
Kaempferol targets Src to exert its chemopreventive effects on mammary tumorigenesis via regulation of the PI3K/AKT pathway DOI
Pinghan Wang, Yu Ma,

Xiaohui Rao

et al.

Phytomedicine, Journal Year: 2025, Volume and Issue: 141, P. 156701 - 156701

Published: March 29, 2025

Language: Английский

Citations

0
Novel Strategies in Breast Cancer Management: from Treatment to Long-term Remission DOI

S Habibi,

Shabbou Bahramian,

Saeedeh Zare Jalise

et al.

Critical Reviews in Oncology/Hematology, Journal Year: 2025, Volume and Issue: unknown, P. 104715 - 104715

Published: April 1, 2025

Language: Английский

Citations

0
Expanding the Horizon of Pteridine Chemistry: Optimized Synthesis by the Isay Reaction, and Molecular-Docking Studies DOI
Hardik Bhatt, Suman Shaw,

Ankit Borisa

et al.

Synlett, Journal Year: 2025, Volume and Issue: unknown

Published: April 7, 2025

Abstract The Isay reaction was used to synthesize novel disubstituted pteridine derivatives. scaffold synthesized by reacting a mercaptopyrimidine derivative with substituted diketone, followed phenylurea derivative. Standard physicochemical and spectroscopic techniques, such as FTIR, mass spectrometry, 1H NMR, D2O exchange, HPLC confirmed the structures purities of compounds. Various key substituents on were incorporated explore their effects chemical biological properties products. Molecular-docking studies against proteins PI3K (PDB ID: 4L23) mTOR 4JT6), showed promising interactions that supported potential activity These findings provide strong basis for further optimization evaluation, particularly in development anticancer agents.

Language: Английский

Citations

0
The antibreast cancer therapeutic potential of quinazoline hybrids–Part I DOI
Wei Chen, Ruo Wang,

Yidan Lin

et al.

Future Medicinal Chemistry, Journal Year: 2025, Volume and Issue: unknown, P. 1 - 15

Published: April 30, 2025

Breast cancer is the most commonly diagnosed in women and leading cause of cancer-related mortality among female patients across world. Chemotherapy a critical means for breast therapy, administration chemotherapy could reduce risk recurrence by approximately one-third early cancer. However, multidrug resistance represents principal obstacle to effective chemotherapeutic interventions against an increasing clinical challenge, creating urgent demand explore innovative chemotherapeutics combat this formidable disease. Quinazoline hybrids with structural mechanistic diversity exhibit excellent activity cancers including drug-resistant forms have potential side effects caused corresponding pharmacophores. Notably, lapatinib, quinazoline-furan-sulfone hybrid, has already been launched therapy. Thus, quinazoline represent fertile source development novel deployment control eradication This review emphasizes current scenario antibreast therapeutic focuses on structure-activity relationships (SARs) modes action, developed from 2020 onwards, facilitate rational discovery more candidates. [Figure: see text]This landscape potential, delves into mechanisms action aiming less toxic

Language: Английский

Citations

0
Gene selection and cancer classification using interaction-based feature clustering and improved-binary Bat algorithm DOI
Ahmad Esfandiari,

Niki Nasiri

Computers in Biology and Medicine, Journal Year: 2024, Volume and Issue: 181, P. 109071 - 109071

Published: Aug. 27, 2024

Language: Английский

Citations

3
Comprehensive single-cell and bulk transcriptomic analyses to develop an NK cell-derived gene signature for prognostic assessment and precision medicine in breast cancer DOI Creative Commons

Qianshan Hou,

Chunzhen Li,

Y.M. Chong

et al.

Frontiers in Immunology, Journal Year: 2024, Volume and Issue: 15

Published: Oct. 23, 2024

Background Natural killer (NK) cells play crucial roles in mediating anti-cancer activity breast cancer (BRCA). However, the potential of NK cell-related molecules predicting BRCA outcomes and guiding personalized therapy remains largely unexplored. This study focused on developing a prognostic therapeutic prediction model for by incorporating genes. Methods The data analyzed primarily originated from TCGA GEO databases. role was evaluated, marker genes were identified via single-cell analysis. Module closely associated with immunotherapy resistance bulk transcriptome-based weighted correlation network analysis (WGCNA). Following taking intersection LASSO regression, NK-related (NKRGs) relevant to prognosis screened, signature subsequently constructed. Analyses further expanded clinicopathological relevance, GSEA, tumor microenvironment (TME) analysis, immune function, responsiveness, chemotherapeutics. Key NKRGs screened machine learning validated spatial transcriptomics (ST) immunohistochemistry (IHC). Results Tumor-infiltrating are favorable factor BRCA. By combining scRNA-seq transcriptomic analyses, we 7 (CCL5, EFHD2, KLRB1, C1S, SOCS3, IRF1, CCND2) developed an risk scoring (NKRS) system. reliability NKRS verified through survival clinical relevance analyses across multiple cohorts. also demonstrated robust predictive power various aspects, including TME landscape, functions, responses, chemotherapeutic sensitivity. Additionally, KLRB1 CCND2 emerged as key external validation, their expression confirmed specimens ST IHC. Conclusions We novel gene that has proven valuable evaluating treatment response BRCA, expecting advance precision medicine

Language: Английский

Citations

0
Discovery of novel pyrrolo[2,3-d]pyrimidine derivatives as anticancer agents: virtual screening and molecular dynamic studies DOI
Sunny Dhiman, Swati Gupta, Sushil K. Kashaw

et al.

SAR and QSAR in environmental research, Journal Year: 2024, Volume and Issue: unknown, P. 1 - 33

Published: Nov. 28, 2024

CDK/Cyclins are dysregulated in several human cancers. Recent studies showed inhibition of CDK4/6 was responsible for controlling cell cycle progression and cancer growth. In the present study, atom-based field-based 3D-QSAR, virtual screening, molecular docking dynamics were done development novel pyrrolo[2,3-d]pyrimidine (P2P) derivatives as anticancer agents. The developed models good

Language: Английский

Citations

0