Molecular docking as a popular tool in drug design, an in silico travel
New molecular modeling approaches, driven by rapidly improving computational platforms,
have allowed many success stories for the use of computer-assisted drug design in the …
have allowed many success stories for the use of computer-assisted drug design in the …
Phosphatidylinositol 3-kinase (PI3K) inhibitors: a recent update on inhibitor design and clinical trials (2016–2020)
ABSTRACT Introduction: The phosphatidylinositol 3-kinase/protein kinase-B/mammalian
target of rapamycin (PI3K/AKT/mTOR) signaling pathway plays a central role in regulating …
target of rapamycin (PI3K/AKT/mTOR) signaling pathway plays a central role in regulating …
HTE and machine learning-assisted development of iridium (I)-catalyzed selective O–H bond insertion reactions toward carboxymethyl ketones
Y Xu, F Ren, L Su, Z **ong, X Zhu, X Lin… - Organic Chemistry …, 2023 - pubs.rsc.org
Functional group substituted carboxymethyl ketones, particularly heterocyclic ones, are
important structural motifs in biologically active molecules, but their synthesis is challenging …
important structural motifs in biologically active molecules, but their synthesis is challenging …
N-phenyl-6-chloro-4-hydroxy-2-quinolone-3-carboxamides: Molecular Docking, Synthesis, and Biological Investigation as Anticancer Agents
Cancer is a multifactorial disease and the second leading cause of death worldwide.
Diverse factors induce carcinogenesis, such as diet, smoking, radiation, and genetic defects …
Diverse factors induce carcinogenesis, such as diet, smoking, radiation, and genetic defects …
Computer-aided design, synthesis, and biological evaluation of new indole-2-carboxamide derivatives as PI3Kα/EGFR inhibitors
Abstract Structure-based drug design and molecular modeling were employed to identify a
new series of indole-2-carboxamides as potential anticancer agents. These compounds …
new series of indole-2-carboxamides as potential anticancer agents. These compounds …
Molecular modeling, docking and dynamic simulations of growth hormone receptor (GHR) of Labeo rohita
Growth hormones (GH) have diverse functions like growth promotion, metabolism, appetite,
reproduction and social behavior in vertebrates, which is mediated through the growth …
reproduction and social behavior in vertebrates, which is mediated through the growth …
Gene Characterization, Molecular Docking and Dynamic Simulations of Insulin-Like Growth Factor Receptor (IGF-1Ra) in Common Carp, Cyprinus carpio
Insulin-like growth factors (IGF) are powerful mitogens for a wide range of cell types and play
an essential role in growth and development. In the current study, molecular docking and …
an essential role in growth and development. In the current study, molecular docking and …
Benzoin schiff bases: Design, synthesis, and biological evaluation as potential antitumor agents
Background: Phosphoinositide 3-kinase α (PI3Kα) is an attractive target for anticancer drug
design. Objectives: Target compounds were designed to probe the significance of alcohol …
design. Objectives: Target compounds were designed to probe the significance of alcohol …
Structure-Based Design: Synthesis, X-ray Crystallography, and Biological Evaluation of N-Substituted-4-Hydroxy-2-Quinolone-3-Carboxamides as Potential Cytotoxic …
Background: Oncogenic potential of phosphatidylinositol 3-kinase (PI3Kα) has been
highlighted as a therapeutic target for anticancer drug design. Objective: Target compounds …
highlighted as a therapeutic target for anticancer drug design. Objective: Target compounds …
Design, Synthesis, and Biological Examination of N‐Phenyl‐6‐fluoro‐4‐hydroxy‐2‐quinolone‐3‐carboxamides as Anticancer Agents
Cancer is one of the leading causes of death worldwide, and it has a major impact on public
health. Phosphatidylinositol 3‐kinase (PI3Kα) has been recognized as a promising drug …
health. Phosphatidylinositol 3‐kinase (PI3Kα) has been recognized as a promising drug …