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

AK Saxena, S Saxena… - … in Environmental Research, 2010 - Taylor & Francis
molecular chaperone heat shock protein (Hsp90) is of current interest as a potential anticancer
drug target. It has several oncogenic client proteinsdocking software was used to dock

In silico evaluation of human small heat shock protein HSP27: Homology modeling, mutation analyses and docking studies

P Fossa, E Cichero - Bioorganic & medicinal chemistry, 2015 - Elsevier
… the small heat shock proteins tend … proteins, preventing their accumulation and therefore
protecting the cell from several unfavourable conditions. For example, small heat-shock proteins

[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
Heat Shock Protein 90 was a key molecular chaperone … ) through docking using GOLD 3.1
and pharmacophore studies … are in consistence with the docking results indicating that both …

[HTML][HTML] Molecular docking simulation analysis of the interaction of dietary flavonols with heat shock protein 90

SP Singh, CR Deb, SU Ahmed… - … biomedical research, 2016 - ncbi.nlm.nih.gov
protein involved in the stabilization of various proteins in cancer cells. The present investigation
focused on the molecular docking simulation studies of … The molecular docking analysis …

Pharmacophore based virtual screening, molecular docking studies to design potent heat shock protein 90 inhibitors

S Sakkiah, S Thangapandian, S John… - European Journal of …, 2011 - Elsevier
… The identification of important chemical features of Heat Shock Protein 90 (HSP90) inhibitors
… the rule of five, ADMET and molecular docking. Finally, four compounds were obtained as …

[HTML][HTML] Comparative modeling and mutual docking of structurally uncharacterized heat shock protein 70 and heat shock factor-1 proteins in water buffalo

R Singh, A Gurao, C Rajesh, SK Mishra, S Rani… - Veterinary …, 2019 - ncbi.nlm.nih.gov
… of Bubalus bubalis (BB) heat shock protein 70 (HSP70) and heat shock factor-1 (HSF1) has
been … along with their docking studies to decipher the interacting residues of both molecules. …

Heat shock protein 40: structural studies and their functional implications

J Li, X Qian, B Sha - Protein and peptide letters, 2009 - ingentaconnect.com
… an “anchoring and docking” model how Hsp40 … docking site for the Hsp70 peptide-binding
domain and the C-terminal EEVD motif of Hsp70 may act as the anchor to initiate the docking

Heat Shock Protein 90 (HSP90) Inhibitors as Anticancer Medicines: A Review on the Computer‐Aided Drug Discovery Approaches over the Past Five Years

AM Magwenyane, SC Ugbaja… - … methods in medicine, 2022 - Wiley Online Library
… Three phytochemical molecules obtained from docking studies displayed better properties
than investigated clinical therapeutics. In addition, the hit compound and reference …

… oxadiazol‐2‐amine Schiff base as potential heat shock protein 90 inhibitors: Spectroscopic, biological activity, density functional theory, and molecular docking studies

AS Al‐Janabi, AFK Al‐Bayati, OA ALtaie… - Applied …, 2022 - Wiley Online Library
… useful for analytical evaluation by studying the modification of … Heat shock protein 90 (Hsp90)
is an abundant molecular … , trafficking, and degradation process of proteins. [ 23-25 ] Hsp90 …

Modeling and docking studies on novel mutants (K71L and T204V) of the ATPase domain of human heat shock 70 kDa protein 1

A Elengoe, MA Naser, S Hamdan - International Journal of Molecular …, 2014 - mdpi.com
… The current study explores the interaction between human heat shock protein 70 (Hsp70) …
their effectiveness in vitro, currently no clinical trials for this combination treatment is underway. …