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Dicoumarol attenuates NLRP3 inflammasome activation to inhibit inflammation and fibrosis in knee osteoarthritis.
Mol Med Rep
June 2024
Department of Orthopedics and Traumatology, Wuxi Hospital of Traditional Chinese Medicine Affiliated to Nanjing University of Chinese Medicine, Wuxi, Jiangsu 214000, P.R. China.
Knee osteoarthritis (KOA) is a major cause of disability in elderly individuals. Dicoumarol is a coumarin‑like compound derived from sweet clover [ (L.) Pall].
View Article and Find Full Text PDFBinding of dicoumarol analog with DNA and its antioxidant studies: A biophysical insight by in-vitro and in-silico approaches.
Int J Biol Macromol
July 2023
Department of Chemistry, GITAM School of Science, GITAM Deemed to be University Hyderabad Campus, 502329, India. Electronic address:
DNA is the major target for a number of pharmaceutical drugs. The interaction of drug molecules with DNA plays a major role in pharmacokinetics and pharmacodynamics. Bis-coumarin derivatives have diverse biological properties.
View Article and Find Full Text PDFBiophysical insights on the interaction of anticoagulant drug dicoumarol with calf thymus-DNA: deciphering the binding mode and binding force with thermodynamics.
J Biomol Struct Dyn
February 2024
Department of Chemistry, GITAM School of Science, GITAM Deemed to be University Hyderabad Campus, Hyderabad, India.
The biological activity of drugs is exhibited due to their interactions with bio-receptors. Dicoumarol (DIC) is a natural hydroxycoumarin and a well-known anticoagulant. DNA is the genetic material and one of the targets of numerous drugs.
View Article and Find Full Text PDFStructure-based screening and biological validation of the anti-thrombotic drug-dicoumarol as a novel and potent PPARγ-modulating ligand.
Bioorg Chem
December 2022
Guangzhou Municipal and Guangdong Provincial Key Laboratory of Protein Modification and Degradation & Molecular Target and Clinical Pharmacology, the State Key Laboratory of Respiratory Disease, School of Pharmaceutical Sciences & the Fifth Affiliated Hospital, Guangzhou Medical University, Guangzhou, Guangdong 511436, China. Electronic address:
PPARγ full agonists, thiazolidinediones (TZDs), have been known as a class of most effective drugs for the treatment of type 2 diabetes mellitus (T2DM). However, recently their therapeutic benefits have been compromised by several undesirable side effects. In this study, a host-based repurposing strategy and in combination with comprehensive biological evaluations were synergistically employed to seek for potent PPARγ ligands, which led to the identification of an anti-thrombotic drug, dicoumarol (Dic), as the novel and safer selectively PPARγ modulator (SPPARγM) with advantages over current TZD drugs.
View Article and Find Full Text PDFVirtual screening of plant-derived compounds against SARS-CoV-2 viral proteins using computational tools.
Sci Total Environ
August 2021
Instituto de Investigaciones para la Industria Química (INIQUI), Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) - Universidad Nacional de Salta (UNSa), Av. Bolivia 5150, 4400 Salta, Argentina; Facultad de Ciencias Naturales, UNSa, Salta, Argentina.
The new SARS-CoV-2, responsible for the COVID-19 pandemic, has been threatening public health worldwide for more than a year. The aim of this work was to evaluate compounds of natural origin, mainly from medicinal plants, as potential SARS-CoV-2 inhibitors through docking studies. The viral spike (S) glycoprotein and the main protease M, involved in the recognition of virus by host cells and in viral replication, respectively, were the main molecular targets in this study.
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