Tuaimenal A, a Meroterpene from the Irish Deep-Sea Soft Coral Duva florida, Displays Inhibition of the SARS-CoV-2 3CLpro Enzyme

Editorial: Current Status of Oral Antiviral Drug Treatments for SARS-CoV-2 Infection in Non-Hospitalized Patients

(2022) Dinah V. Parums   MEDICAL SCIENCE MONITOR

Multigram Preparation of BRD4780 Enantiomers and Assignment of Absolute Stereochemistry

(2021) Brian T. Chamberlain et al.   JOURNAL OF ORGANIC CHEMISTRY

A comparative analysis of SARS-CoV-2 antivirals characterizes 3CLpro inhibitor PF-00835231 as a potential new treatment for COVID-19

(2021) Maren de Vries et al.   JOURNAL OF VIROLOGY

Structural basis for inhibition of the SARS-CoV-2 RNA polymerase by suramin

(2021) Wanchao Yin et al.   NATURE STRUCTURAL & MOLECULAR BIOLOGY

HIV-1 Protease Inhibitors Slow HPV16-Driven Cell Proliferation through Targeted Depletion of Viral E6 and E7 Oncoproteins

(2021) Soyeong Park et al.   Cancers

CIFDock : A novel CHARMM ‐based flexible receptor–flexible ligand docking protocol

(2021) Sai L. Vankayala et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Covid-19: Pfizer’s paxlovid is 89% effective in patients at risk of serious illness, company reports

(2021) Elisabeth Mahase   BMJ-British Medical Journal

An interactive web-based dashboard to track COVID-19 in real time

(2020) Ensheng Dong et al.   LANCET INFECTIOUS DISEASES

SARS-CoV-2 Cell Entry Depends on ACE2 and TMPRSS2 and Is Blocked by a Clinically Proven Protease Inhibitor

(2020) Markus Hoffmann et al.   CELL

The epidemiology, diagnosis and treatment of COVID-19

(2020) Pan Zhai et al.   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

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

(2020) Zhenming Jin et al.   NATURE

Remdesivir for the Treatment of Covid-19 — Preliminary Report

(2020) John H. Beigel et al.   NEW ENGLAND JOURNAL OF MEDICINE

Crystal structure of SARS-CoV-2 main protease provides a basis for design of improved α-ketoamide inhibitors

(2020) Linlin Zhang et al.   SCIENCE

Quercetin and Vitamin C: An Experimental, Synergistic Therapy for the Prevention and Treatment of SARS-CoV-2 Related Disease (COVID-19)

(2020) Ruben Manuel Luciano Colunga Biancatelli et al.   Frontiers in Immunology

Identification of alkaloids from Justicia adhatoda as potent SARS CoV-2 main protease inhibitors: An in silico perspective

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

Targeting Proteases for Treating COVID-19

(2020) Binquan Luan et al.   JOURNAL OF PROTEOME RESEARCH

Absolute Configurations of Synthetic Molecular Scaffolds from Vibrational CD Spectroscopy

(2019) Christian Merten et al.   JOURNAL OF ORGANIC CHEMISTRY

Bio-inspired dimerisation of prenylated quinones directed towards the synthesis of the meroterpenoid natural products, the scabellones

(2015) Susanna T.S. Chan et al.   TETRAHEDRON LETTERS

Comparison of Experimental and Calculated Chiroptical Spectra for Chiral Molecular Structure Determination

(2014) Prasad L. Polavarapu et al.   CHIRALITY

Bioactive Chemical Constituents from the Brown Alga Homoeostrichus formosana

(2014) Hui-Yu Fang et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Recent advances in deep-sea natural products

(2014) Danielle Skropeta et al.   NATURAL PRODUCT REPORTS

Determination of Absolute Configuration of Chiral Molecules Using Vibrational Optical Activity: A Review

(2011) Yanan He et al.   APPLIED SPECTROSCOPY

α-Tocopherols from the Formosan Soft CoralLobophytum crassum

(2011) Shi-Yie Cheng et al.   BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN

Chemical and Biological Studies of Soft Corals of the Nephtheidae Family

(2011) Jing Hu et al.   CHEMISTRY & BIODIVERSITY

A Confidence Level Algorithm for the Determination of Absolute Configuration Using Vibrational Circular Dichroism or Raman Optical Activity

(2011) Elke Debie et al.   CHEMPHYSCHEM

Metachromins U–W: Cytotoxic Merosesquiterpenoids from an Australian Specimen of the SpongeThorecta reticulata

(2011) Simon P. B. Ovenden et al.   JOURNAL OF NATURAL PRODUCTS

Open Babel: An open chemical toolbox

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

Collagenolytic Activities of the Major Secreted Cathepsin L Peptidases Involved in the Virulence of the Helminth Pathogen, Fasciola hepatica

(2011) Mark W. Robinson et al.   PLoS Neglected Tropical Diseases

CHARMM general force field: A force field for drug-like molecules compatible with the CHARMM all-atom additive biological force fields

(2009) K. Vanommeslaeghe et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Mechanisms of Growth Inhibition in Human Papillomavirus Positive and Negative Cervical Cancer Cells by the Chloromethyl Ketone Protease Inhibitor, Succinyl-Alanine-Alanine-Proline-Phenylalanine Chloromethyl Ketone

(2009) K. J. Duncan et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

CHARMMing: A New, Flexible Web Portal for CHARMM

(2008) Benjamin T. Miller et al.   Journal of Chemical Information and Modeling

Very fast prediction and rationalization of pKa values for protein-ligand complexes

(2008) Delphine C. Bas et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS