The application of in silico drug-likeness predictions in pharmaceutical research
The concept of drug-likeness, established from the analyses of the physiochemical
properties or/and structural features of existing small organic drugs or/and drug candidates …
properties or/and structural features of existing small organic drugs or/and drug candidates …
Cheminformatics in natural product‐based drug discovery
Y Chen, J Kirchmair - Molecular Informatics, 2020 - Wiley Online Library
This review seeks to provide a timely survey of the scope and limitations of cheminformatics
methods in natural product‐based drug discovery. Following an overview of data resources …
methods in natural product‐based drug discovery. Following an overview of data resources …
Quinolines-Based SARS-CoV-2 3CLpro and RdRp Inhibitors and Spike-RBD-ACE2 Inhibitor for Drug-Repurposing Against COVID-19: An in silico Analysis
The novel coronavirus SARS-CoV-2 disease “COVID-19” emerged in China and rapidly
spread to other countries; due to its rapid worldwide spread, the WHO has declared this as a …
spread to other countries; due to its rapid worldwide spread, the WHO has declared this as a …
TCMSP: a database of systems pharmacology for drug discovery from herbal medicines
Background Modern medicine often clashes with traditional medicine such as Chinese
herbal medicine because of the little understanding of the underlying mechanisms of action …
herbal medicine because of the little understanding of the underlying mechanisms of action …
A network pharmacology approach and experimental validation to investigate the anticancer mechanism and potential active targets of ethanol extract of Wei-Tong …
F Lin, G Zhang, X Yang, M Wang, R Wang… - Journal of …, 2023 - Elsevier
Abstract Ethnopharmacological relevance Wei-Tong-**n (WTX), derives from the Chinese
herbal decoction (CHD) of Wan-Ying-Yuan in ancient China, has been shown to be effective …
herbal decoction (CHD) of Wan-Ying-Yuan in ancient China, has been shown to be effective …
Updates on drug designing approach through computational strategies: a review
The drug discovery and development (DDD) process in pursuit of novel drug candidates is a
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
challenging procedure requiring lots of time and resources. Therefore, computer-aided drug …
Plant metabolite databases: from herbal medicines to modern drug discovery
TH Nguyen-Vo, L Nguyen, N Do… - Journal of chemical …, 2019 - ACS Publications
Traditional herbal medicine has been an inseparable part of the traditional medical science
in many countries throughout history. Nowadays, the popularity of using herbal medicines in …
in many countries throughout history. Nowadays, the popularity of using herbal medicines in …
[HTML][HTML] YaTCM: yet another traditional Chinese medicine database for drug discovery
B Li, C Ma, X Zhao, Z Hu, T Du, X Xu, Z Wang… - Computational and …, 2018 - Elsevier
Abstract Traditional Chinese Medicine (TCM) has a long history of widespread clinical
applications, especially in East Asia, and is becoming frequently used in Western countries …
applications, especially in East Asia, and is becoming frequently used in Western countries …
In silico drug discovery of SIRT2 inhibitors from natural source as anticancer agents
Abstract Sirtuin 2 (SIRT2) is a member of the sirtuin protein family, which includes lysine
deacylases that are NAD+-dependent and organize several biological processes. Different …
deacylases that are NAD+-dependent and organize several biological processes. Different …
Design and various in silico studies of the novel curcumin derivatives as potential candidates against COVID-19-associated main enzymes
The novel coronavirus disease (COVID-19) is a highly contagious disease caused by the
SARS-CoV-2 virus, leading severe acute respiratory syndrome in patients. Although various …
SARS-CoV-2 virus, leading severe acute respiratory syndrome in patients. Although various …