Consensus analyses in molecular docking studies applied to medicinal chemistry

M dos Santos Maia… - Mini Reviews in …, 2020 - ingentaconnect.com
The increasing number of computational studies in medicinal chemistry involving molecular
docking has put the technique forward as promising in Computer-Aided Drug Design …

Identification of potential isoform-selective histone deacetylase inhibitors for cancer therapy: A combined approach of structure-based virtual screening, ADMET …

AI Uba, K Yelekçi - Journal of Biomolecular Structure and …, 2018 - Taylor & Francis
Histone deacetylases (HDACs) have gained increased attention as targets for anticancer
drug design and development. HDAC inhibitors have proven to be effective for reversing the …

Exploring the binding interaction of Raf kinase inhibitory protein with the N-terminal of C-Raf through molecular docking and molecular dynamics simulation

S Parate, S Rampogu, G Lee, JC Hong… - Frontiers in Molecular …, 2021 - frontiersin.org
Protein-protein interactions are indispensable physiological processes regulating several
biological functions. Despite the availability of structural information on protein-protein …

[HTML][HTML] NMR characterization of self-association domains promoted by interactions with LC8 hub protein

E Barbar, A Nyarko - Computational and structural biotechnology journal, 2014 - Elsevier
Most proteins in interaction networks have a small number of partners, while a few, called
hubs, participate in a large number of interactions and play a central role in cell …

Integration of transcriptomics and proteomics improves the characterization of the role of mussel gills in a bacterial waterborne infection

A Saco, A Panebianco, S Blanco, B Novoa… - Frontiers in Marine …, 2021 - frontiersin.org
In recent years, the immune response of mussels (Mytilus galloprovincialis) has been
studied at the transcriptomic level against several bacterial infections. As a result, different …

Structural studies of Staphylococcus aureus Sortase inhibiton via Conus venom peptides

S Younis, S Taj, S Rashid - Archives of biochemistry and biophysics, 2019 - Elsevier
Sortases (Srts) are transpeptidase enzymes that anchor plethora of surface proteins with
LPXTG and NPQTN motifs to the cell wall of Gram-positive bacteria, and they are potential …

Structural basis for Cullins and RING component inhibition: Targeting E3 ubiquitin pathway conductors for cancer therapeutics

S Shafique, W Ali, S Kanwal, S Rashid - International journal of biological …, 2018 - Elsevier
Abstract Cullin (CUL)-RING E3 ubiquitin ligases (CRLs) are attractive therapeutic targets as
they regulate diverse biological processes important for cancer cell survival by conferring …

Molecular handoffs in nitrergic neurotransmission

A Chaudhury - Frontiers in medicine, 2014 - frontiersin.org
Postsynaptic density (PSD) proteins in excitatory synapses are relatively immobile
components, while there is a structured organization of mobile scaffolding proteins lying …

[HTML][HTML] Interaction of human dynein light chain 1 (DYNLL1) with enterochelin esterase (Salmonella typhimurium) and protective antigen (Bacillus anthraci) might be …

Q Yousafi, M Azhar, MS Khan, A Mehmood… - Saudi Journal of …, 2020 - Elsevier
The cytoplasmic dynein light chain 1 (DYNLL1) is an important constituent of motor proteins
complex. In human it is encoded by DYNLL1 gene. It is involved in cargo transport functions …

T8M mutation in connexin-26 impairs the connexon topology and shifts its interaction paradigm with lipid bilayer leading to non-syndromic hearing loss

A Batool, S Yasmeen, S Rashid - Journal of Molecular Liquids, 2017 - Elsevier
Approximately, two third cases of non-syndromic deafness are caused by mutation in GJB2;
which encodes a β-class gap-junction protein, connexin-26 (Cx26). Cx26 is expressed in …