Identifying alkaline phosphatase inhibitory potential of cyclooxygenase-2 inhibitors: Insights from molecular docking, MD simulations, molecular expression analysis in …
Abstract Alkaline phosphatases (APs, EC 3.1. 3.1) belong to a superfamily of biological
macromolecules that dephosphorylate many phosphometabolites and phosphoproteins and …
macromolecules that dephosphorylate many phosphometabolites and phosphoproteins and …
In silico Molecular Docking and ADMET evaluation for investigating the anti-cancer potential of ketoprofen amides against cyclooxygenase-2 (COX-2)
Many epithelial cancers overexpress the inducible cyclooxygenase-2 COX-2, which is
thought to be the cause of NSAIDs' antitumor effects. While ketoprofens (Ket) are well-known …
thought to be the cause of NSAIDs' antitumor effects. While ketoprofens (Ket) are well-known …
Molecular docking analysis of novel thiourea derivatives of naproxen with potential anti-inflammatory activity
N Nedeljković, V Dobričić, M Mijajlović, Z Vujić… - Medical Sciences …, 2022 - mdpi.com
Administration of current non-steroidal anti-inflammatory drugs is often associated with
serious adverse effects. Therefore, there is a constant need to develop new molecules with …
serious adverse effects. Therefore, there is a constant need to develop new molecules with …
Structural modification of aspirin to design a new potential cyclooxygenase (COX-2) inhibitors
Aspirin (Asp) is one of the most important and ancient member of nonsteroidal anti-
inflammatory drugs (NSAID), commonly used in medication of fever, pain and inflammation …
inflammatory drugs (NSAID), commonly used in medication of fever, pain and inflammation …
ADMET, Molecular docking studies and binding energy calculations of Pyrimidine-2-Thiol Derivatives as Cox Inhibitors
DD Kodical, JP James, K Deepthi… - Research Journal of …, 2020 - indianjournals.com
Cyclooxygenase (COX), is an enzyme that is responsible for the formation of prostanoids,
including thromboxane and prostaglandins. Prostaglandins promote inflammation. Blockage …
including thromboxane and prostaglandins. Prostaglandins promote inflammation. Blockage …
Design, synthesis, anti-inflammatory antitumor activities, molecular modeling and molecular dynamics simulations of potential naprosyn® analogs as COX-1 and/or …
MT El Sayed, MAMS El-Sharief, ES Zarie, NM Morsy… - Bioorganic …, 2018 - Elsevier
Inflammation is a fundamental physiological process that is essential for survival of human
being but at the same time is one of the major causes of human morbidity and mortality. In …
being but at the same time is one of the major causes of human morbidity and mortality. In …
Identification of potential human COX-2 inhibitors using computational modeling and molecular dynamics simulations
To explore the structure-property relationship in a set of molecules against Cyclooxygenase-
2 (COX-2), pharmacophore modeling, molecular docking and 3D-QSAR studies were …
2 (COX-2), pharmacophore modeling, molecular docking and 3D-QSAR studies were …
Screening of potential breast cancer inhibitors through molecular docking and molecular dynamics simulation
S Pandi, L Kulanthaivel, GK Subbaraj… - BioMed Research …, 2022 - Wiley Online Library
Cyclooxygenase‐2 (COX‐2) is a key enzyme involved in overexpression in several human
cancerous diseases including breast cancer. By performing efficient virtual screening in a …
cancerous diseases including breast cancer. By performing efficient virtual screening in a …
[PDF][PDF] In Silico drug design on aspirin for Cyclooxygenase I and II, target for reduce the effects of inflammatory
AK Babaheydari - Biosci. Biotechnol. Res. Asia, 2015 - researchgate.net
Aspirin is part of a group of medications called nonsteroidal anti-inflammatory drugs
(NSAIDs), but differs from most other NSAIDs in the mechanism of action. cyclooxygenases I …
(NSAIDs), but differs from most other NSAIDs in the mechanism of action. cyclooxygenases I …
Identification of potential drug-like molecules for inhibition of the inflammatory activity of cyclooxygenase-2
AB Gurung, A Laso, A Bhattacharjee - Journal of Biomolecular …, 2020 - Taylor & Francis
Inflammation plays a pivotal role in all stages of atherosclerosis and therefore targeting the
key enzymes of this pathway may help in ameliorating the disease progression. The current …
key enzymes of this pathway may help in ameliorating the disease progression. The current …