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Molecular modelling studies unveil potential binding sites on human serum albumin for selected experimental and <i>in silico</i> COVID-19 drug candidate molecules.

Author: AliMohammad Ajmal, GurungArun Bahadur

Journal ArticleAn article published in an academic or professional journal that reports original research or scholarly analysis.

Overview

This study investigated the molecular binding of COVID-19 therapeutic candidate molecules to human serum albumin (HSA). 14 drug candidates demonstrated strong HSA binding with binding energies ranging from -9.7 to -12.1 kcal/mol. These molecules bind to different HSA subdomains through hydrogen bonds and hydrophobic interactions. The findings suggest that these drug candidates may have moderate to strong HSA binding, which could impact their pharmacodynamics and pharmacokinetics.
Paper Details　
Original Abstract of the Article :
Human serum albumin (HSA) is the most prevalent protein in the blood plasma which binds an array of exogenous compounds. Drug binding to HSA is an important consideration when developing new therapeutic molecules, and it also aids in understanding the underlying mechanisms that govern their pharmaco...See full text at original site
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引用元：
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8447726/

データ提供：米国国立医学図書館（NLM）

COVID-19 Drug Candidates: Exploring Their Binding Sites on Human Serum Albumin

This study embarks on a journey through the [molecular world of drug binding], a topic as complex and fascinating as the intricate patterns of sand dunes. The research focuses on the [interaction between COVID-19 drug candidates and human serum albumin (HSA)], a key protein in blood plasma that plays a vital role in drug transport and distribution. The authors, like skilled molecular architects, use [molecular modeling techniques] to investigate the [binding sites and interactions] of various drug candidates with HSA. The study reveals a [range of binding affinities] between different drug candidates and HSA, providing insights into the potential [pharmacokinetic and pharmacodynamic implications] of these interactions.

COVID-19 Drug Candidates: Understanding Their Binding Profiles with Human Serum Albumin

This study, like a desert traveler meticulously mapping a new route, sheds light on the binding profiles of COVID-19 drug candidates with HSA. The findings provide valuable information for [understanding the potential impact of HSA binding] on drug absorption, distribution, and efficacy, guiding the development of more effective and targeted therapies.

Drug Development: Navigating the Complex Landscape of HSA Interactions

This study, like a camel caravan carefully traversing a diverse desert landscape, highlights the importance of [understanding the complex interactions between drugs and HSA]. The findings underscore the need for [comprehensive analysis of HSA binding] during drug development to optimize drug efficacy and minimize potential adverse effects.

Dr. Camel's Conclusion

This research, like a camel caravan navigating a vast and intricate desert, explores the binding interactions between COVID-19 drug candidates and HSA. The findings provide valuable insights into the molecular mechanisms underlying these interactions, offering a roadmap for understanding the pharmacokinetic and pharmacodynamic implications of drug binding to HSA and guiding the development of more effective and safe treatments.
Date :
  1. Date Completed n.d.
  2. Date Revised 2021-12-23
Further Info :

Pubmed ID

34548836

DOI: Digital Object Identifier

PMC8447726

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PICO Info
in preparation
Languages

English

Positive IndicatorAn AI analysis index that serves as a benchmark for how positive the results of the study are. Note that it is a benchmark and requires careful interpretation and consideration of different perspectives.

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