A multilevel approach for screening natural compounds as an antiviral agent for COVID-19

Predicting Potential SARS-COV-2 Drugs—In Depth Drug Database Screening Using Deep Neural Network Framework SSnet, Classical Virtual Screening and Docking

(2021) Nischal Karki et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Kobophenol A Inhibits Binding of Host ACE2 Receptor with Spike RBD Domain of SARS-CoV-2, a Lead Compound for Blocking COVID-19

(2021) Suresh Gangadevi et al.   Journal of Physical Chemistry Letters

Causal network models of SARS-CoV-2 expression and aging to identify candidates for drug repurposing

(2021) Anastasiya Belyaeva et al.   Nature Communications

Natural Products from Medicinal Plants with Anti-Human Coronavirus Activities

(2021) Salar Hafez Ghoran et al.   MOLECULES

Partitioning Pattern of Natural Products Based on Molecular Properties Descriptors Representing Drug-Likeness

(2021) Miroslava Nedyalkova et al.   Symmetry-Basel

Flavonoids against the SARS-CoV-2 induced inflammatory storm

(2021) Alena Liskova et al.   BIOMEDICINE & PHARMACOTHERAPY

A MATLAB toolbox for multivariate regression coupled with variable selection

(2021) Viviana Consonni et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Unveiling the Effect of Low pH on the SARS-CoV-2 Main Protease by Molecular Dynamics Simulations

(2021) Haruna Luz Barazorda-Ccahuana et al.   Polymers

Structure of the SARS-CoV-2 spike receptor-binding domain bound to the ACE2 receptor

(2020) Jun Lan et al.   NATURE

Repurpose Open Data to Discover Therapeutics for COVID-19 Using Deep Learning

(2020) Xiangxiang Zeng et al.   JOURNAL OF PROTEOME RESEARCH

Flavonols as potential antiviral drugs targeting SARS-CoV-2 proteases (3CLpro and PLpro), spike protein, RNA-dependent RNA polymerase (RdRp) and angiotensin-converting enzyme II receptor (ACE2)

(2020) Chaima Mouffouk et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Chemical-informatics approach to COVID-19 drug discovery: Exploration of important fragments and data mining based prediction of some hits from natural origins as main protease (Mpro) inhibitors

(2020) Kalyan Ghosh et al.   JOURNAL OF MOLECULAR STRUCTURE

The Application of Machine Learning Techniques in Protein Drugs and Drug Targets Recognition

(2019) Hui Ding   CURRENT DRUG METABOLISM

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Recent Advances in Multidimensional QSAR (4D-6D): A Critical Review

(2014) Manoj Damale et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Pattern recognition in bioinformatics

(2013) D. de Ridder et al.   BRIEFINGS IN BIOINFORMATICS