Dexibuprofen amide derivatives as potential anticancer agents: Synthesis, in silico docking, bioevaluation, and molecular dynamic simulation
Background The amide derivatives of nonsteroidal anti-inflammatory drugs have been
reported to possess antitumor activity. The present work describes the synthesis of …
reported to possess antitumor activity. The present work describes the synthesis of …
Design, synthesis, and cytotoxicity of ibuprofen-appended benzoxazole analogues against human breast adenocarcinoma
V Thumma, V Mallikanti, R Matta, R Dharavath… - RSC Medicinal …, 2024 - pubs.rsc.org
A library of novel ibuprofen-appended benzoxazole analogues (7a–l) was synthesized via a
series of nitration, reduction, and condensation–cyclization reactions and screened for their …
series of nitration, reduction, and condensation–cyclization reactions and screened for their …
Synthesis and characterization of some benzidine-based azomethine derivatives with molecular docking studies and anticancer activities
In this study, a benzidine-based azomethine derivate 2 with a proposed new mechanism
and its two derivatives 4a-b have been designed, synthesized and characterized by 1H, 13C …
and its two derivatives 4a-b have been designed, synthesized and characterized by 1H, 13C …
Computer-aided anticancer drug design: In vitro and in silico studies of new iminocoumarin derivative
In this study, the aim was computer-aided design of a new anti-cancer drug molecule. For
this purpose, 7-hydroxy-8-(((1-hydroxy-3-phenylpropan-2-yl) imino) methyl)-4 …
this purpose, 7-hydroxy-8-(((1-hydroxy-3-phenylpropan-2-yl) imino) methyl)-4 …
Conformational, reactivity analysis, wavefunction-based properties, molecular docking and simulations of a benzamide derivative with potential antitumor activity-DFT …
JS Al-Otaibi, YS Mary, YS Mary… - Polycyclic Aromatic …, 2023 - Taylor & Francis
This report aims to study the chemical properties of a benzamide derivative, N-methyl-2-[[3-
[©-2-pyridin-2-ylethenyl]-1 H-indazol-6-yl] sulfanyl] benzamide (MPSB), having antitumor …
[©-2-pyridin-2-ylethenyl]-1 H-indazol-6-yl] sulfanyl] benzamide (MPSB), having antitumor …
[HTML][HTML] In Silico Drug Design of Anti-Breast Cancer Agents
K Rajagopal, A Kalusalingam, AR Bharathidasan… - Molecules, 2023 - mdpi.com
Cancer is a condition marked by abnormal cell proliferation that has the potential to invade
or indicate other health issues. Human beings are affected by more than 100 different types …
or indicate other health issues. Human beings are affected by more than 100 different types …
Design, Synthesis, Anti-Inflammatory Activity, DFT Modeling and Docking Study of New Ibuprofen Derivatives
A new ibuprofen derivative,(E)-2-(4-isobutylphenyl)-N′-(4-oxopentan-2-ylidene) propane
hydrazide (IA), was synthesized, along with its metal complexes with Co, Cu, Ni, Gd, and …
hydrazide (IA), was synthesized, along with its metal complexes with Co, Cu, Ni, Gd, and …
Biooriented Synthesis of Ibuprofen-Clubbed Novel Bis-Schiff Base Derivatives as Potential Hits for Malignant Glioma: In Vitro Anticancer Activity and In Silico …
This research work is based on the synthesis of bis-Schiff base derivatives of the
commercially available ibuprofen drug in outstanding yields through multistep reactions …
commercially available ibuprofen drug in outstanding yields through multistep reactions …
[PDF][PDF] QSAR study, molecular docking/dynamics simulations and ADME prediction of 2-phenyl-1H-indole derivatives as potential breast cancer inhibitors
In the current investigation, QSAR studies have been performed on fifty-four analogs of the 2-
phenyl-1H-indole analogs, which have antiproliferative activity against two cancer cells lines …
phenyl-1H-indole analogs, which have antiproliferative activity against two cancer cells lines …
Multitargeted molecular docking study of natural-derived alkaloids on breast cancer pathway components
Background: Targeting of multiple sites is a pharmacologically, pharmacokinetic and
dynamically more acceptable approach for complex diseases such as BC. It is …
dynamically more acceptable approach for complex diseases such as BC. It is …