Thermal titration molecular dynamics (TTMD): shedding light on the stability of RNA-small molecule complexes

A Dodaro, M Pavan, S Menin, V Salmaso… - Frontiers in Molecular …, 2023 - frontiersin.org
Ribonucleic acids are gradually becoming relevant players among putative drug targets,
thanks to the increasing amount of structural data exploitable for the rational design of …

SARS-CoV-2 nsp15 preferentially degrades AU-rich dsRNA via its dsRNA nickase activity

X Wang, B Zhu - Nucleic Acids Research, 2024 - academic.oup.com
It has been proposed that coronavirus nsp15 mediates evasion of host cell double-stranded
(ds) RNA sensors via its uracil-specific endoribonuclease activity. However, how nsp15 …

Molecular Interactions and Mechanisms of COVID-19 Inhibition 2.0

F Caruso, M Rossi - International Journal of Molecular Sciences, 2024 - mdpi.com
Version 2.0 of this Special Issue describes a wide variety of potential targets for COVID-19
and related properties [1]. Redox pathways associated with reactive oxygen and nitrogen …

[HTML][HTML] A Gain-of-Function Cleavage of TonEBP by Coronavirus NSP5 to Suppress IFN-β Expression

H Park, SM Lee, SJ Jeong, YC Kweon, GW Shin… - Cells, 2024 - mdpi.com
Human coronaviruses (HCoVs) modify host proteins to evade the antiviral defense and
sustain viral expansion. Here, we report tonicity-responsive enhancer (TonE) binding protein …

[HTML][HTML] Applications of Molecular Docking Studies in SARS-CoV-2 Targeted Drug Discovery and the Gains Achieved through Molecular Docking

M Yildirim, I Celik - 2024 - intechopen.com
In this chapter, we delve into the pivotal role of molecular docking in the realm of
computational biology and chemistry, focusing specifically on its application in drug …

A functional medicine and food homology composition discovery based on disease-related target and data mining against cardiac remodeling

D Xiao, R Li, X Qin, J Feng, D Baranenko, L Natdochii… - bioRxiv, 2024 - biorxiv.org
Background: Medicine and food homological (MFH) products exhibit enhanced safety and
tolerability, minimizing notable side effects, making them pivotal for prolonged use in …

In Silico Insights Toward the Exploration of Adenosine Receptors Ligand Recognition

D Bassani, S Moro - Purinergic Receptors and their Modulators, 2023 - Springer
Adenosine receptors have been studied for many years now, their structures have been
resolved and many of the determinants for their interaction patterns have been highlighted …

Potential protective effects of Huanglian Jiedu Decoction against COVID-19-associated acute kidney injury: A network-based pharmacological and molecular docking …

W Wu, Y Zhang, G Liu, Z Chi, A Zhang, S Miao… - Open …, 2023 - degruyter.com
Abstract Corona virus disease 2019 (COVID-19) is prone to induce multiple organ damage.
The kidney is one of the target organs of SARS-CoV-2, which is susceptible to inducing …

[HTML][HTML] ¿ Cómo podemos encontrar la mejor ruta de recolección de basura?

OM Cano, MAP Blas, PV Saravia - Revista Digital Universitaria, 2024 - revista.unam.mx
Enfrentando el desafío de optimizar la recolección de basura en la colonia Rosarito, Los
Cabos, México, utilizamos herramientas de la Teoría de Gráficas para modelar y resolver el …

[HTML][HTML] ¿ Es posible identificar nuevos fármacos desde tu computadora?

MTA Parra, MGM Montelongo… - Revista Digital …, 2024 - revista.unam.mx
Resumen¿ Cómo se obtienen los nuevos fármacos?¿ De dónde salen nuevos productos
para descontaminar un lago o el suelo? Las plantas y los microorganismos producen …