In silico identification of deep-sea fungal alkaloids as potential inhibitors of SARS-CoV-2, Delta and Omicron spikes

Alkaloids as potential antivirals. A comprehensive review

(2023) Shah Faisal et al.   Natural Products and Bioprospecting

The impact of mutation sets in receptor-binding domain of SARS-CoV-2 variants on stability of the RBD–ACE2 complex

(2023) Mykyta Peka et al.   Future Virology

Structure-based virtual identification of natural inhibitors of SARS-CoV-2 and its Delta and Omicron variant proteins

(2023) Abdullah R Alanzi et al.   Future Virology

Reinfection and reactivation of SARS-CoV-2

(2022) Razieh Dowran et al.   Future Virology

Natural bioactive compounds from marine fungi (2017–2020)

(2021) Huan-Nan Wang et al.   JOURNAL OF ASIAN NATURAL PRODUCTS RESEARCH

SARS-CoV-2 variants, spike mutations and immune escape

(2021) William T. Harvey et al.   NATURE REVIEWS MICROBIOLOGY

Molecular Dynamics Simulations of Human FOXO3 Reveal Intrinsically Disordered Regions Spread Spatially by Intramolecular Electrostatic Repulsion

(2021) Robert O.J. Weinzierl   Biomolecules

Emerging coronaviruses: Genome structure, replication, and pathogenesis

(2020) Yu Chen et al.   JOURNAL OF MEDICAL VIROLOGY

Structure, Function, and Antigenicity of the SARS-CoV-2 Spike Glycoprotein

(2020) Alexandra C. Walls et al.   CELL

The anti‐HIV drug nelfinavir mesylate (Viracept) is a potent inhibitor of cell fusion caused by the SARSCoV‐2 spike (S) glycoprotein warranting further evaluation as an antiviral against COVID‐19 infections

(2020) Farhana Musarrat et al.   JOURNAL OF MEDICAL VIROLOGY

Remdesivir, lopinavir, emetine, and homoharringtonine inhibit SARS-CoV-2 replication in vitro

(2020) Ka-Tim Choy et al.   ANTIVIRAL RESEARCH

Indole alkaloids: 2012 until now, highlighting the new chemical structures and biological activities

(2020) Pauline Fagundes Rosales et al.   FITOTERAPIA

Scalable molecular dynamics on CPU and GPU architectures with NAMD

(2020) James C. Phillips et al.   JOURNAL OF CHEMICAL PHYSICS

The Bio3D Packages for Structural Bioinformatics

(2020) Barry J. Grant et al.   PROTEIN SCIENCE

Antimalarial drugs inhibit the replication of SARS-CoV-2: An in vitro evaluation

(2020) Mathieu Gendrot et al.   Travel Medicine and Infectious Disease

In silico analysis of selected alkaloids against main protease (Mpro) of SARS-CoV-2

(2020) Saksham Garg et al.   CHEMICO-BIOLOGICAL INTERACTIONS

RCSB Protein Data Bank: powerful new tools for exploring 3D structures of biological macromolecules for basic and applied research and education in fundamental biology, biomedicine, biotechnology, bioengineering and energy sciences

(2020) Stephen K Burley et al.   NUCLEIC ACIDS RESEARCH

Insights from molecular dynamics simulations and steered molecular dynamics simulations to exploit new trends of the interaction between HIF-1α and p300

(2019) Zhengfei Yu et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

A Brief Review of Bioactive Metabolites Derived from Deep-Sea Fungi

(2015) Yan-Ting Wang et al.   Marine Drugs

Effects of histidine protonation and rotameric states on virtual screening of M. tuberculosis RmlC

(2013) Meekyum Olivia Kim et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Improving the Prediction of Absolute Solvation Free Energies Using the Next Generation OPLS Force Field

(2012) Devleena Shivakumar et al.   Journal of Chemical Theory and Computation

Recent advancements for the evaluation of anti-viral activities of natural products

(2009) Debprasad Chattopadhyay et al.   New Biotechnology