A comprehensive biophysical and theoretical study on the binding of dexlansoprazole with human serum albumin

ATS Bodapati, RS Reddy, K Lavanya, SR Madku… - Journal of Molecular …, 2023 - Elsevier
Pharmacokinetics, pharmacodynamics, and therapeutic activity of drugs are defined by the
affinities between the drug and biological macromolecules through molecular recognition …

[HTML][HTML] Biophysical and docking study on the interaction of anticancer drugs encorafenib and binimetinib with human serum albumin

G Cavalieri, G Cilurzo, L Pettorosso, A Mansueto… - European Journal of …, 2023 - Elsevier
The utilization of BRAF and MEK inhibitors in combination therapy has demonstrated
superior outcomes in the treatment of melanoma as compared to monotherapy. In the …

Deciphering the potential therapeutic effects of Hydnocarpus wightianus seed extracts using in vitro and in silico approaches

N Kathiresan, K Harini, P Veerabharathi, S Pandi… - Microbial …, 2024 - Elsevier
Phytocompounds possess the potential to treat a broad spectrum of disorders due to their
remarkable bioactivity. Naturally occurring compounds possess lower toxicity profiles, which …

A multi-spectroscopic and computational simulations study to delineate the interaction between antimalarial drug hydroxychloroquine and human serum albumin

K Azeem, M Ahmed, T Mohammad… - Journal of …, 2023 - Taylor & Francis
Hydroxychloroquine (HCQ), a quinoline based medicine is commonly used to treat malaria
and autoimmune diseases such as rheumatoid arthritis. Since, human serum albumin (HSA) …

Computational analysis of the interactions between Ebselen and derivatives with the active site of the main protease from SARS-CoV-2

GS Rieder, PA Nogara, FB Omage, T Duarte… - … Biology and Chemistry, 2023 - Elsevier
The main protease (M pro) of the novel coronavirus SARS-CoV-2 is a key target for
developing antiviral drugs. Ebselen (EbSe) is a selenium-containing compound that has …

Docking Studies and Molecular Dynamics Simulations of Potential Inhibitors from the Brown Seaweed Sargassum polycystum (Phaeophyceae) against PLpro of …

ACMAR Tassakka, IW Iskandar, JF Alam, AD Permana… - BioTech, 2023 - mdpi.com
The COVID-19 disease is a major problem affecting human health all over the world.
Consequently, researchers have been trying to find solutions to treat this pandemic-scale …

[HTML][HTML] Remdesivir inhibits the progression of glioblastoma by enhancing endoplasmic reticulum stress

Y Chen, Y Guo, S Li, J Xu, W Ning, C Zhao… - Biomedicine & …, 2023 - Elsevier
Glioblastoma (GBM) is one of the most aggressive primary malignant brain tumors. The
major challenge is the lack of effective therapeutic drugs due to the blood–brain barrier …

Deciphering the molecular details of interactions between anti-COVID drugs and functional human proteins: in silico approach

VM Trusova, OA Zhytniakivska, UK Tarabara… - … of Pharmaceutical and …, 2023 - Elsevier
The molecular docking calculations have been employed to investigate the interactions a set
of proteins with the repurposed anti-COVID drugs. The position of the therapeutic agents …

Modulation of aryl hydrocarbon receptor activity by halogenated indoles

A Vrzalová, R Vrzal, P Nádvorník, M Šebela… - Bioorganic & Medicinal …, 2024 - Elsevier
The aryl hydrocarbon receptor (AhR) is a cytosolic ligand-activated transcription factor
integral to various physiological and pathological processes. Among its diverse ligands …

Pharmacokinetics and Safety of Remdesivir in Pregnant and Nonpregnant Women With COVID-19: Results From IMPAACT 2032

KM Brooks, K Baltrusaitis, DF Clarke… - The Journal of …, 2024 - academic.oup.com
Background Pregnant people with coronavirus disease 2019 (COVID-19) experience higher
risk for severe disease and adverse pregnancy outcomes, but no pharmacokinetic (PK) data …