Molecular docking study, synthesis and biological evaluation of Schiff bases as Hsp90 inhibitors

SD Gupta, D Snigdha, GI Mazaira… - Biomedicine & …, 2014 - Elsevier
… group is an established template for Hsp90 inhibition and considering the significant anticancer
activity displayed by imines, we performed docking studies of a series of Schiff bases of 2…

Molecular docking study, synthesis and biological evaluation of Mannich bases as Hsp90 inhibitors

SD Gupta, MK Bommaka, GI Mazaira… - International journal of …, 2015 - Elsevier
… chemical scaffolds against Hsp90, we performed molecular docking studies using Tripos-…
the required conserved water molecules. The results of the docking studies predicted Mannich …

[HTML][HTML] Molecular docking and pharmacophore studies of heterocyclic compounds as Heat shock protein 90 (Hsp90) Inhibitors

ST Baby, S Sharma, S Enaganti, PR Cherian - Bioinformation, 2016 - ncbi.nlm.nih.gov
… In the present study, based on the selected target protein Human Hsp90 (PDB: 1YET), the …
activity through docking and pharmacophore studies. The analyzed results of docking showed …

Molecular modelling and docking studies on heat shock protein 90 (Hsp90) inhibitors

AK Saxena, S Saxena… - … in Environmental Research, 2010 - Taylor & Francis
… , the molecular docking studies were carried out to understand the binding modes of the
Hsp90 protein with 16 training set inhibitors using the Genetic Optimisation for Ligand Docking (…

[HTML][HTML] Prediction of new Hsp90 inhibitors based on 3, 4-isoxazolediamide scaffold using QSAR study, molecular docking and molecular dynamic simulation

M Abbasi, H Sadeghi-Aliabadi, M Amanlou - DARU Journal of …, 2017 - Springer
… In the current study, 3,4-isoxazolediamide derivatives were suggested as an Hsp90 inhibitor
… to build models to predict the inhibitory activity of Hsp90. The leave-one out (LOO) cross-…

Pharmacophore-based virtual screening and docking studies on Hsp90 inhibitors

S Saxena, SS Chaudhaery, K Varshney… - … Research, 2010 - Taylor & Francis
… The hit compounds were subsequently subjected to molecular docking studies and, …
inhibition of the Hsp90 folding machinery Citation18. Although docking studies on Hsp90 inhibitors

Design, synthesis, and molecular docking studies of novel pyrazolyl 2‐aminopyrimidine derivatives as HSP90 inhibitors

A Mettu, V Talla, DM Bajaj… - Archiv der …, 2019 - Wiley Online Library
studies and molecular docking studies of various reported inhibitors with HSP90 have shown
… and MAPK driven melanomas are most sensitive to HSP90 inhibitors.13-15 Although the …

3D-QSAR, molecular docking, and molecular dynamic simulations for prediction of new Hsp90 inhibitors based on isoxazole scaffold

M Abbasi, H Sadeghi-Aliabadi… - Journal of Biomolecular …, 2018 - Taylor & Francis
… the active site of Hsp90, a molecular docking simulation was … Hsp90 inhibitors in the 3D-QSAR
model. Findings indicate that the predicted ligands were stable in the active site of Hsp90

3D QSAR pharmacophore based virtual screening and molecular docking for identification of potential HSP90 inhibitors

S Sakkiah, S Thangapandian, S John, YJ Kwon… - European journal of …, 2010 - Elsevier
… known to be potent inhibitors of HSP90's chaperone activity. The goal of this study is to
generate a 3D pharmacophore models based on the known HSP90 inhibitors, which can …

[HTML][HTML] Discovery of novel indene-based hybrids as breast cancer inhibitors targeting Hsp90: Synthesis, bio-evaluation and molecular docking study

AM Alosaimy, AS Abouzied, AMR Alsaedi… - Arabian Journal of …, 2023 - Elsevier
… effect on Hsp90 enzyme, we utilized MOE 2014.0901 [33] aiming to find a possible fitting …
the Hsp90 reported active site. Molecular modeling inside the active binding site of Hsp90