Anisotine and amarogentin as promising inhibitory candidates against SARS-CoV-2 proteins: a computational investigation

Characteristics of and Important Lessons From the Coronavirus Disease 2019 (COVID-19) Outbreak in China

(2020) Zunyou Wu et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Clinical features of patients infected with 2019 novel coronavirus in Wuhan, China

(2020) Chaolin Huang et al.   LANCET

Structural and Functional Basis of SARS-CoV-2 Entry by Using Human ACE2

(2020) Qihui Wang et al.   CELL

Characterization of the receptor-binding domain (RBD) of 2019 novel coronavirus: implication for development of RBD protein as a viral attachment inhibitor and vaccine

(2020) Wanbo Tai et al.   Cellular & Molecular Immunology

Boosting the arsenal against COVID-19 through computational drug repurposing

(2020) Gennaro Ciliberto et al.   DRUG DISCOVERY TODAY

Treatment of 5 Critically Ill Patients With COVID-19 With Convalescent Plasma

(2020) Chenguang Shen et al.   JAMA-JOURNAL OF THE AMERICAN MEDICAL ASSOCIATION

Identification of new anti-nCoV drug chemical compounds from Indian spices exploiting SARS-CoV-2 main protease as target

(2020) Umesh et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Design of multi-epitope vaccine candidate against SARS-CoV-2: a in-silico study

(2020) K. Abraham Peele et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structure of Mpro from SARS-CoV-2 and discovery of its inhibitors

(2020) Zhenming Jin et al.   NATURE

The proximal origin of SARS-CoV-2

(2020) Kristian G. Andersen et al.   NATURE MEDICINE

Natural compounds from Clerodendrum spp. as possible therapeutic candidates against SARS-CoV-2: An in silico investigation

(2020) Pallab Kar et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Cyanobacterial metabolites as promising drug leads against the Mpro and PLpro of SARS-CoV-2: an in silico analysis

(2020) Devashan Naidoo et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Unravelling lead antiviral phytochemicals for the inhibition of SARS-CoV-2 Mpro enzyme through in silico approach

(2020) Arun Bahadur Gurung et al.   LIFE SCIENCES

Evaluation of antiviral activity of Ocimum sanctum and Acacia arabica leaves extracts against H9N2 virus using embryonated chicken egg model

(2018) S. S. Ghoke et al.   BMC Complementary and Alternative Medicine

ProTox-II: a webserver for the prediction of toxicity of chemicals

(2018) Priyanka Banerjee et al.   NUCLEIC ACIDS RESEARCH

Activity profiles of analog series containing pan assay interference compounds

(2017) Erik Gilberg et al.   RSC Advances

vNN Web Server for ADMET Predictions

(2017) Patric Schyman et al.   Frontiers in Pharmacology

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

1, 8-Cineol Protect Against Influenza-Virus-Induced Pneumonia in Mice

(2016) Yun Li et al.   INFLAMMATION

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

PLIP: fully automated protein–ligand interaction profiler

(2015) Sebastian Salentin et al.   NUCLEIC ACIDS RESEARCH

Detection and Confirmation of Alkaloids in Leaves of Justicia adhatoda and Bioinformatics Approach to Elicit Its Anti-tuberculosis Activity

(2012) Deepak Kumar Jha et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Antiviral activity of the Lippia graveolens (Mexican oregano) essential oil and its main compound carvacrol against human and animal viruses

(2012) Marciele Ribas Pilau et al.   BRAZILIAN JOURNAL OF MICROBIOLOGY

Diverse approaches for the enhancement of oral drug bioavailability

(2011) Pius Fasinu et al.   BIOPHARMACEUTICS & DRUG DISPOSITION

Open Babel: An open chemical toolbox

(2011) Noel M O'Boyle et al.   Journal of Cheminformatics

Principles of early drug discovery

(2010) JP Hughes et al.   BRITISH JOURNAL OF PHARMACOLOGY

New Substructure Filters for Removal of Pan Assay Interference Compounds (PAINS) from Screening Libraries and for Their Exclusion in Bioassays

(2010) Jonathan B. Baell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Screening for Antiviral Activities of Isolated Compounds from Essential Oils

(2009) Akram Astani et al.   Evidence-based Complementary and Alternative Medicine

Antiviral activity of the Indian medicinal plant extract,Swertia chirataagainst herpes simplex viruses: A study byin-vitroand molecular approach

(2009) V Gopalkrishna et al.   Indian Journal of Medical Microbiology

An Improved United Atom Force Field for Simulation of Mixed Lipid Bilayers

(2009) See-Wing Chiu et al.   JOURNAL OF PHYSICAL CHEMISTRY B