Investigation of Some Antiviral N-Heterocycles as COVID 19 Drug: Molecular Docking and DFT Calculations
The novel coronavirus, COVID-19, caused by SARS-CoV-2, is a global health pandemic that
started in December 2019. The effective drug target among coronaviruses is the main …
started in December 2019. The effective drug target among coronaviruses is the main …
[HTML][HTML] Molecular mechanisms of amyloid disaggregation
KJY Low, A Venkatraman, JS Mehta… - Journal of Advanced …, 2022 - Elsevier
Introduction Protein aggregation and deposition of uniformly arranged amyloid fibrils in the
form of plaques or amorphous aggregates is characteristic of amyloid diseases. The …
form of plaques or amorphous aggregates is characteristic of amyloid diseases. The …
Design, synthesis, molecular modeling, anticancer studies, and density functional theory calculations of 4-(1, 2, 4-triazol-3-ylsulfanylmethyl)-1, 2, 3-triazole derivatives
A Al Sheikh Ali, D Khan, A Naqvi, FF Al-Blewi… - ACS …, 2020 - ACS Publications
New conjugates of substituted 1, 2, 3-triazoles linked to 1, 2, 4-triazoles were synthesized
starting from the appropriate S-propargylated 1, 2, 4-triazoles 7 and 8. Ligation of 1, 2, 4 …
starting from the appropriate S-propargylated 1, 2, 4-triazoles 7 and 8. Ligation of 1, 2, 4 …
Identification of potential phytochemicals from Citrus Limon against main protease of SARS-CoV-2: molecular docking, molecular dynamic simulations and quantum …
J Khan, SA Sakib, S Mahmud, Z Khan… - Journal of …, 2022 - Taylor & Francis
The outbreak of coronavirus disease (COVID-19) caused by a novel RNA virus emerged at
the end of 2019. Most of the patient's symptoms are mild to moderate, and influenza, acute …
the end of 2019. Most of the patient's symptoms are mild to moderate, and influenza, acute …
[HTML][HTML] In silico investigation of phytoconstituents of medicinal herb 'Piper Longum'against SARS-CoV-2 by molecular docking and molecular dynamics analysis
Unavailability of treatment for the SARS-CoV-2 virus has raised concern among the
population worldwide. This has led to many attempts to find alternative options to prevent the …
population worldwide. This has led to many attempts to find alternative options to prevent the …
A New Family of Benzo[h]Chromene Based Azo Dye: Synthesis, In-Silico and DFT Studies with In Vitro Antimicrobial and Antiproliferative Assessment
The high biological activity of the chromene compounds coupled with the intriguing optical
features of azo chromophores prompted our desire to construct novel derivatives of …
features of azo chromophores prompted our desire to construct novel derivatives of …
Efficient and accurate physics-aware multiplex graph neural networks for 3d small molecules and macromolecule complexes
Recent advances in applying Graph Neural Networks (GNNs) to molecular science have
showcased the power of learning three-dimensional (3D) structure representations with …
showcased the power of learning three-dimensional (3D) structure representations with …
Elucidating the effect of static electric field on amyloid beta 1–42 supramolecular assembly
S Muscat, F Stojceski, A Danani - Journal of Molecular Graphics and …, 2020 - Elsevier
Amyloid-β (Aβ) aggregation is recognized to be a key toxic factor in the pathogenesis of
Alzheimer disease, which is the most common progressive neurodegenerative disorder. In …
Alzheimer disease, which is the most common progressive neurodegenerative disorder. In …
Electric field effect on inhibiting the co-fibrillation of amyloid peptides by modulating the aggregation pathway
With the revelation of the close link between Alzheimer's disease (AD) and type II diabetes
(T2D) and the possible assembly of multiple amyloid peptides therein, it is critical to …
(T2D) and the possible assembly of multiple amyloid peptides therein, it is critical to …
Structural analysis of TrkA mutations in patients with congenital insensitivity to pain reveals PLCγ as an analgesic drug target
BC Moraes, HV Ribeiro-Filho, AP Roldão… - Science …, 2022 - science.org
Chronic pain is a major health issue, and the search for new analgesics has become
increasingly important because of the addictive properties and unwanted side effects of …
increasingly important because of the addictive properties and unwanted side effects of …