Targeting mitogen-activated protein kinase-activated protein kinase 2 (MAPKAPK2, MK2): medicinal chemistry efforts to lead small molecule inhibitors to clinical trials
The p38/MAPK-activated kinase 2 (MK2) pathway is involved in a series of pathological
conditions (inflammation diseases and metastasis) and in the resistance mechanism to …
conditions (inflammation diseases and metastasis) and in the resistance mechanism to …
In silico molecular docking analysis of natural pyridoacridines as anticancer agents
Docking studies are proved to be an essential tool that facilitates the structural diversity of
natural products to be harnessed in an organized manner. In this study, pyridoacridines …
natural products to be harnessed in an organized manner. In this study, pyridoacridines …
Identification of novel G-protein-coupled receptor 40 (GPR40) agonists by hybrid in silico-screening techniques and molecular dynamics simulations thereof
Diabetes is a major health problem worldwide predisposing to increased mortality and
morbidity. The current antidiabetic therapies have serious side effects and thus have …
morbidity. The current antidiabetic therapies have serious side effects and thus have …
Target validation and structure-based virtual screening to Discover potential lead molecules against the oncogenic NSD1 histone methyltransferase
The aim of the study was to validate Nuclear receptor-binding SET Domain NSD1 as a
cancer drug target followed by the design of lead molecules against NSD1. TCGA clinical …
cancer drug target followed by the design of lead molecules against NSD1. TCGA clinical …
Computational Study of Lactucine and its Derivatives to Investigate its Anti-cancerous Properties Targeting Apoptosis-inducing Protein
M Arya, A Tiwari, DB Singh, G Taj - Letters in Drug Design & …, 2024 - ingentaconnect.com
Background: Lactucine is related to the sesquiterpene lactone group of naturally occurring
compounds and has a variety of pharmacological effects including anticancer properties …
compounds and has a variety of pharmacological effects including anticancer properties …
[HTML][HTML] Pharmacophore mapping studies on indolizine derivatives as 15-LOX inhibitors
This investigation analyzes the common chemical features for 15-lipoxygenase (15-LOX)
inhibitors to develop ligand-based pharmacophore models for lipoxygenase inhibitory …
inhibitors to develop ligand-based pharmacophore models for lipoxygenase inhibitory …
Insights into the key structural features of triazolothienopyrimidines as anti-HIV agents using QSAR, molecular docking, and pharmacophore modeling
The development of severe drug resistance caused by the extensive use of anti-HIV agents
has resulted in resistance mutation that compromise efficacy of anti-retroviral. We have …
has resulted in resistance mutation that compromise efficacy of anti-retroviral. We have …
A computational study on thiourea analogs as potent MK-2 inhibitors
Mitogen-activated protein kinase-activated protein kinase 2 (MK-2) has been identified as a
drug target for the treatment of inflammatory diseases. Currently, a series of thiourea …
drug target for the treatment of inflammatory diseases. Currently, a series of thiourea …
Phraseological Importance of Indolizine Derivatives
V Uppar, A Waderatti, M Mannikeri… - … in Chemical Biology …, 2023 - books.google.com
Indolizine is a heterocyclic compound with nitrogen as a bridging atom for two condensed
rings (5 and 6-member rings). Indolizines and indoles contain an isomeric ring system …
rings (5 and 6-member rings). Indolizines and indoles contain an isomeric ring system …
Pharmacophore mapping studies on pyrazoles as anti-proliferative agents.
Pharmacophore mapping investigations were carried out on a dataset of 36 pyrazole
derivatives that demonstrate antiproliferative activity in human ovarian adenocarcinoma …
derivatives that demonstrate antiproliferative activity in human ovarian adenocarcinoma …