Insight View on Synthetic Strategies and Biological Applications of Pyrimidobenzothiazoles
Pyrimidobenzothiazoles and its derivatives are important structural scaffolds in the field of
synthetic organic chemistry and medicinal chemistry. The review is focused on one pot …
synthetic organic chemistry and medicinal chemistry. The review is focused on one pot …
Molecular design of 1, 3, 5, 7-TetraCN derivatives with reduced bioconcentration using 3D-QSAR modeling, full factorial design, and molecular docking
Y Zhao, W Gu, Y Li - Journal of Molecular Graphics and Modelling, 2018 - Elsevier
Three-dimensional quantitative structure–activity relationship (3D-QSAR) models were
established for polychlorinated naphthalenes (PCNs) using the logarithms of experimental …
established for polychlorinated naphthalenes (PCNs) using the logarithms of experimental …
Investigating the binding mechanism of novel 6-aminonicotinate-based antagonists with P2Y12 by 3D-QSAR, docking and molecular dynamics simulations
S Zhou, D Fang, S Tan, W Lin, W Wu… - Journal of Biomolecular …, 2017 - Taylor & Francis
P2Y12 receptor is an attractive target for the anti-platelet therapies, treating various
thrombotic diseases. In this work, a total of 107 6-aminonicotinate-based compounds as …
thrombotic diseases. In this work, a total of 107 6-aminonicotinate-based compounds as …
Development of structure activity correlation model on azetidin-2-ones as tubulin polymerization inhibitors
V Kumar Patel, K Singh Chouhan… - Letters in Drug …, 2015 - ingentaconnect.com
Structure and ligand based approaches are effectively employed for the accurate design of
ligands. The main objective of this study was to find out the correlation between structure …
ligands. The main objective of this study was to find out the correlation between structure …
3D-QSAR and molecular docking studies of aminopyrimidine derivatives as novel three-targeted Lck/Src/KDR inhibitors
W Xie, Z Liu, D Fang, W Wu, S Ma, S Tan… - Journal of Molecular …, 2019 - Elsevier
In recent years, the development of multi-targeted inhibitors has captured extensive attention
of research for treating of T-cell mediated autoimmune and inflammatory diseases. In this …
of research for treating of T-cell mediated autoimmune and inflammatory diseases. In this …
Modelación 3D-QSAR de los derivados de 5-(nitroheteroaril)-1, 3, 4-tiadiazol con actividad leishmanicida
AE Ensuncho, JR Robles, JM López - Información tecnológica, 2022 - SciELO Chile
En el presente estudio, los campos de interacción molecular se aplicaron a un conjunto de
datos de 36 derivados del compuesto 5-(nitroheteroaril)-1, 3, 4-tiadiazol con actividad …
datos de 36 derivados del compuesto 5-(nitroheteroaril)-1, 3, 4-tiadiazol con actividad …