π–Cation interactions in molecular recognition: Perspectives on pharmaceuticals and pesticides
The π–cation interaction that differs from the cation− π interaction is a valuable concept in
molecular design of pharmaceuticals and pesticides. In this Perspective we present an up-to …
molecular design of pharmaceuticals and pesticides. In this Perspective we present an up-to …
Advances in the studies of roles of Rho/Rho-kinase in diseases and the development of its inhibitors
RhoA/Rho-kinase pathway plays a pivotal role in numerous fundamental cellular functions
including contraction, motility, proliferation, differentiation and apoptosis. The pathway is …
including contraction, motility, proliferation, differentiation and apoptosis. The pathway is …
In silico Prediction, Characterization, Molecular Docking, and Dynamic Studies on Fungal SDRs as Novel Targets for Searching Potential Fungicides Against …
Vascular wilt of tomato caused by Fusarium oxysporum f. sp. lycopersici (FOL) is one of the
most devastating diseases, that delimits the tomato production worldwide. Fungal short …
most devastating diseases, that delimits the tomato production worldwide. Fungal short …
Side chains of parabens modulate antiandrogenic activity: in vitro and molecular docking studies
K Ding, X Kong, J Wang, L Lu, W Zhou… - … science & technology, 2017 - ACS Publications
Parabens have been widely used in packaged foods, pharmaceuticals, and personal-care
products. Considering their potential hydrolysis, we herein investigated structural features …
products. Considering their potential hydrolysis, we herein investigated structural features …
Concatenation of molecular docking and molecular simulation of BACE-1, γ-secretase targeted ligands: in pursuit of Alzheimer's treatment
Introduction Alzheimer's disease (AD), the most predominant cause of dementia, has
evolved tremendously with an escalating frequency, mainly affecting the elderly population …
evolved tremendously with an escalating frequency, mainly affecting the elderly population …
Privileged S-Triazines: Structure and Pharmacological Applications
DR Shah, RP Modh, KH Chikhalia - Future medicinal chemistry, 2014 - Taylor & Francis
This review summarizes recent reports on s-triazine and its respective analogs from the
medicinal chemistry angle. Due to its high reactivity and binding characteristic towards …
medicinal chemistry angle. Due to its high reactivity and binding characteristic towards …
Photonic crystal kinase biosensor
KI MacConaghy, CI Geary, JL Kaar… - Journal of the …, 2014 - ACS Publications
We have developed a novel biosensor for kinases that is based on a kinase-responsive
polymer hydrogel, which enables label-free screening of kinase activity via changes in …
polymer hydrogel, which enables label-free screening of kinase activity via changes in …
Design, synthesis and anticancer studies of novel aminobenzazolyl pyrimidines as tyrosine kinase inhibitors
R Chikhale, S Thorat, RK Choudhary, N Gadewal… - Bioorganic …, 2018 - Elsevier
Abnormal signalling from the Protein tyrosine kinases (PTKs) like receptor tyrosine kinases
and intracellular tyrosine kinases can lead to diseases such as cancer especially non-small …
and intracellular tyrosine kinases can lead to diseases such as cancer especially non-small …
Advances in the development of Rho-associated protein kinase (ROCK) inhibitors
Highlights•The structures and therapeutic importance of ROCK are outlined.•The available
inhibitors of ROCK are summarized.•The binding mechanisms of representative ROCK …
inhibitors of ROCK are summarized.•The binding mechanisms of representative ROCK …
Structure-based virtual screening, molecular docking, and molecular dynamics simulation of VEGF inhibitors for the clinical treatment of ovarian cancer
Vascular endothelial growth factor (VEGF) and its receptor play an important role both in
physiologic and pathologic angiogenesis, which is identified in ovarian cancer progression …
physiologic and pathologic angiogenesis, which is identified in ovarian cancer progression …