A review of large language models and autonomous agents in chemistry
Large language models (LLMs) have emerged as powerful tools in chemistry, significantly
impacting molecule design, property prediction, and synthesis optimization. This review …
impacting molecule design, property prediction, and synthesis optimization. This review …
A review exploring biological activities of hydrazones
G Verma, A Marella, M Shaquiquzzaman… - Journal of Pharmacy …, 2014 - journals.lww.com
The development of novel compounds, hydrazones has shown that they possess a wide
variety of biological activities viz. antimicrobial, anticonvulsant, antidepressant, anti …
variety of biological activities viz. antimicrobial, anticonvulsant, antidepressant, anti …
DOCK 6: Impact of new features and current docking performance
This manuscript presents the latest algorithmic and methodological developments to the
structure‐based design program DOCK 6.7 focused on an updated internal energy function …
structure‐based design program DOCK 6.7 focused on an updated internal energy function …
Design, synthesis, and SAR studies of novel 4-methoxyphenyl pyrazole and pyrimidine derivatives as potential dual tyrosine kinase inhibitors targeting both EGFR …
Guided by the pharmacophoric features of both EGFR and VEGFR-2 antagonists, two novel
series of 4-methoxyphenyl pyrazole and pyrimidine derivatives [(4a-c) and (5a-c, 6, 7a-c, 8 …
series of 4-methoxyphenyl pyrazole and pyrimidine derivatives [(4a-c) and (5a-c, 6, 7a-c, 8 …
Review on EGFR inhibitors: critical updates
Epidermal Growth Factor Receptor (EGFR) is a transmembrane glycoprotein that constitutes
one of the four members of ErbB family of tyrosine kinase receptors. Activation of EGFR …
one of the four members of ErbB family of tyrosine kinase receptors. Activation of EGFR …
Novel 4-thiophenyl-pyrazole, pyridine, and pyrimidine derivatives as potential antitumor candidates targeting both EGFR and VEGFR-2; design, synthesis, biological …
SM Al-Muntaser, AA Al-Karmalawy, AM El-Naggar… - RSC …, 2023 - pubs.rsc.org
In this article, we continued our previous effort to develop new selective anticancer
candidates based on the basic pharmacophoric requirements of both EGFR and VEGFR-2 …
candidates based on the basic pharmacophoric requirements of both EGFR and VEGFR-2 …
Development of dual inhibitors targeting epidermal growth factor receptor in cancer therapy
L Tan, J Zhang, Y Wang, X Wang, Y Wang… - Journal of Medicinal …, 2022 - ACS Publications
Epidermal growth factor receptor (EGFR) is of great significance in mediating cell signaling
transduction and tumor behaviors. Currently, third-generation inhibitors of EGFR, especially …
transduction and tumor behaviors. Currently, third-generation inhibitors of EGFR, especially …
Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations
Recently, molecular generation models based on deep learning have attracted significant
attention in drug discovery. However, most existing molecular generation models have …
attention in drug discovery. However, most existing molecular generation models have …
Thieno[2,3-b]thiophene Derivatives as Potential EGFRWT and EGFRT790M Inhibitors with Antioxidant Activities: Microwave-Assisted Synthesis and Quantitative In …
SA Ahmed, MS Kamel, MO Aboelez, X Ma… - ACS …, 2022 - ACS Publications
Microwave-assisted synthesis and spectral analysis of certain novel derivatives of 3, 4-
diaminothieno [2, 3-b] thiophene-2, 5-dicarbonitrile 1–7 were carried out. Compounds 1–7 …
diaminothieno [2, 3-b] thiophene-2, 5-dicarbonitrile 1–7 were carried out. Compounds 1–7 …
Design and evaluation of sulfadiazine derivatives as potent dual inhibitors of EGFR WT and EGFR T790M: integrating biological, molecular docking, and ADMET …
A series of derivatives (5–14) were synthesized through the diazotization of sulfadiazine with
active methylene compounds. The chemical structures of these newly designed compounds …
active methylene compounds. The chemical structures of these newly designed compounds …