Phospholipids dock SARS-CoV-2 spike protein via hydrophobic interactions: a minimal in-silico study of lecithin nasal spray therapy

Sequence analysis of Indian SARS-CoV-2 isolates shows a stronger interaction of mutated receptor binding domain with ACE2 receptor

(2021) Pujarini Dash et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

New Acaciin-Loaded Self-Assembled Nanofibers as MPro Inhibitors Against BCV as a Surrogate Model for SARS-CoV-2

(2021) Soad A Mohamad et al.   International Journal of Nanomedicine

Polysulfates block SARS‐CoV‐2 uptake via electrostatic interactions

(2021) Chuanxiong Nie et al.   ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

Ensemble-based screening of natural products and FDA-approved drugs identified potent inhibitors of SARS-CoV-2 that work with two distinct mechanisms

(2021) Daniel M. Shadrack et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Angiotensin-converting enzyme 2 (ACE2) as a SARS-CoV-2 receptor: molecular mechanisms and potential therapeutic target

(2020) Haibo Zhang et al.   INTENSIVE CARE MEDICINE

Anti-HCV, nucleotide inhibitors, repurposing against COVID-19

(2020) Abdo A. Elfiky   LIFE SCIENCES

A pneumonia outbreak associated with a new coronavirus of probable bat origin

(2020) Peng Zhou et al.   NATURE

Structural basis for the recognition of the SARS-CoV-2 by full-length human ACE2

(2020) Renhong Yan et al.   SCIENCE

Cryo-EM structure of the 2019-nCoV spike in the prefusion conformation

(2020) Daniel Wrapp et al.   SCIENCE

Subunit Vaccines Against Emerging Pathogenic Human Coronaviruses

(2020) Ning Wang et al.   Frontiers in Microbiology

Computational Design of ACE2-Based Peptide Inhibitors of SARS-CoV-2

(2020) Yanxiao Han et al.   ACS Nano

Inhibition of SARS-CoV-2 Infections in Engineered Human Tissues Using Clinical-Grade Soluble Human ACE2

(2020) Vanessa Monteil et al.   CELL

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

(2020) Alexandra C. Walls et al.   CELL

Inhibition of SARS-CoV-2 (previously 2019-nCoV) infection by a highly potent pan-coronavirus fusion inhibitor targeting its spike protein that harbors a high capacity to mediate membrane fusion

(2020) Shuai Xia et al.   CELL RESEARCH

Understanding SARS‐CoV‐2 endocytosis for COVID‐19 drug repurposing

(2020) Oleg O. Glebov   FEBS Journal

Arbidol: A potential antiviral drug for the treatment of SARS-CoV-2 by blocking trimerization of the spike glycoprotein

(2020) Naveen Vankadari   INTERNATIONAL JOURNAL OF ANTIMICROBIAL AGENTS

In silico studies on the comparative characterization of the interactions of SARS‐CoV‐2 spike glycoprotein with ACE‐2 receptor homologs and human TLRs

(2020) Abhigyan Choudhury et al.   JOURNAL OF MEDICAL VIROLOGY

Is the Rigidity of SARS-CoV-2 Spike Receptor-Binding Motif the Hallmark for Its Enhanced Infectivity? Insights from All-Atoms Simulations

(2020) Angelo Spinello et al.   Journal of Physical Chemistry Letters

Comparing the Binding Interactions in the Receptor Binding Domains of SARS-CoV-2 and SARS-CoV

(2020) Muhamed Amin et al.   Journal of Physical Chemistry Letters

A human neutralizing antibody targets the receptor binding site of SARS-CoV-2

(2020) Rui Shi et al.   NATURE

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

(2020) Jun Lan et al.   NATURE

News Feature: Avoiding pitfalls in the pursuit of a COVID-19 vaccine

(2020) Lynne Peeples   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Vaccine designers take first shots at COVID-19

(2020) Jon Cohen   SCIENCE

Lung Mechanics in COVID-19 Resemble RDS not ARDS: Could Surfactant be a Treatment?

(2020) Anastassios C Koumbourlis et al.   AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE

Nurturing Undergraduate Researchers in Biomedical Sciences

(2020) Jiefu Li et al.   CELL

Ribavirin, Remdesivir, Sofosbuvir, Galidesivir, and Tenofovir against SARS-CoV-2 RNA dependent RNA polymerase (RdRp): A molecular docking study

(2020) Abdo A. Elfiky   LIFE SCIENCES

Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions

(2020) Yingjie Wang et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Structure-based drug designing and immunoinformatics approach for SARS-CoV-2

(2020) Pritam Kumar Panda et al.   Science Advances

Lung Surfactant for Pulmonary Barrier Restoration in Patients With COVID-19 Pneumonia

(2020) Ursula Mirastschijski et al.   Frontiers in Medicine

A Single-Dose Intranasal ChAd Vaccine Protects Upper and Lower Respiratory Tracts against SARS-CoV-2

(2020) Ahmed O. Hassan et al.   CELL

Recent progress and challenges in drug development against COVID-19 coronavirus (SARS-CoV-2) - an update on the status

(2020) Tarek Mohamed Abd El-Aziz et al.   INFECTION GENETICS AND EVOLUTION

Allergic disorders and susceptibility to and severity of COVID-19: A nationwide cohort study

(2020) Jee Myung Yang et al.   JOURNAL OF ALLERGY AND CLINICAL IMMUNOLOGY

In Silico Identification of Potential Natural Product Inhibitors of Human Proteases Key to SARS-CoV-2 Infection

(2020) R.P. Vivek-Ananth et al.   MOLECULES

An alpaca nanobody neutralizes SARS-CoV-2 by blocking receptor interaction

(2020) Leo Hanke et al.   Nature Communications

Severity of Coronavirus Disease 2019 (COVID-19): Does Surfactant Matter?

(2020) Ralf Weiskirchen   Frontiers in Microbiology

Protein Hydration Waters are Susceptible to Unfavorable Perturbations

(2019) Nicholas B Rego et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Phospholipid regulation of innate immunity and respiratory viral infection

(2019) Dennis R. Voelker et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

End-Point Binding Free Energy Calculation with MM/PBSA and MM/GBSA: Strategies and Applications in Drug Design

(2019) Ercheng Wang et al.   CHEMICAL REVIEWS

Cholesterol Modulates Membrane Properties and the Interaction of gp41 Fusion Peptide to Promote Membrane Fusion

(2019) Geetanjali Meher et al.   JOURNAL OF PHYSICAL CHEMISTRY B

PDB2ENTROPY and PDB2TRENT: Conformational and Translational–Rotational Entropy from Molecular Ensembles

(2018) Federico Fogolari et al.   Journal of Chemical Information and Modeling

Review – An update on the use of oral phospholipid excipients

(2017) Peter van Hoogevest   EUROPEAN JOURNAL OF PHARMACEUTICAL SCIENCES

Study of the mechanism of protonated histidine-induced conformational changes in the Zika virus dimeric envelope protein using accelerated molecular dynamic simulations

(2017) Jixue Sun et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

AIDS, Avian flu, SARS, MERS, Ebola, Zika… what next?

(2017) Leslie A. Reperant et al.   VACCINE

Water Determines the Structure and Dynamics of Proteins

(2016) Marie-Claire Bellissent-Funel et al.   CHEMICAL REVIEWS

PARENT: A Parallel Software Suite for the Calculation of Configurational Entropy in Biomolecular Systems

(2016) Markus Fleck et al.   Journal of Chemical Theory and Computation

MERS-CoV outbreak following a single patient exposure in an emergency room in South Korea: an epidemiological outbreak study

(2016) Sun Young Cho et al.   LANCET

Accurate calculation of the absolute free energy of binding for drug molecules

(2016) Matteo Aldeghi et al.   Chemical Science

The MM/PBSA and MM/GBSA methods to estimate ligand-binding affinities

(2015) Samuel Genheden et al.   Expert Opinion on Drug Discovery

Liposomal treatment of xerostomia, odor, and taste abnormalities in patients with head and neck cancer

(2015) Clemens Heiser et al.   HEAD AND NECK-JOURNAL FOR THE SCIENCES AND SPECIALTIES OF THE HEAD AND NECK

The SPL7013 dendrimer destabilizes the HIV-1 gp120–CD4 complex

(2015) Bidisha Nandy et al.   Nanoscale

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Sinunasale Symptome ANCA-assoziierter Vaskulitiden und deren Therapie mit Liposomen

(2014) B. Hofauer et al.   LARYNGO-RHINO-OTOLOGIE

Tolerability and effects on quality of life of liposomal nasal spray treatment compared to nasal ointment containing dexpanthenol or isotonic NaCl spray in patients with rhinitis sicca

(2013) C. Hahn et al.   EUROPEAN ARCHIVES OF OTO-RHINO-LARYNGOLOGY

MMPBSA.py: An Efficient Program for End-State Free Energy Calculations

(2012) Bill R. Miller et al.   Journal of Chemical Theory and Computation

Phosphatidylglycerol Suppresses Influenza A Virus Infection

(2011) Mari Numata et al.   AMERICAN JOURNAL OF RESPIRATORY CELL AND MOLECULAR BIOLOGY

Protein–surfactant interactions: A tale of many states

(2011) Daniel Otzen   BIOCHIMICA ET BIOPHYSICA ACTA-PROTEINS AND PROTEOMICS

Liposomes: a new non-pharmacological therapy concept for seasonal-allergic-rhinoconjunctivitis

(2011) M. Böhm et al.   EUROPEAN ARCHIVES OF OTO-RHINO-LARYNGOLOGY

MDAnalysis: A toolkit for the analysis of molecular dynamics simulations

(2011) Naveen Michaud-Agrawal et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Hydrophobicity of Proteins and Interfaces: Insights from Density Fluctuations

(2011) Sumanth N. Jamadagni et al.   Annual Review of Chemical and Biomolecular Engineering

Lung surfactant DPPG phospholipid inhibits vaccinia virus infection

(2010) Julien Perino et al.   ANTIVIRAL RESEARCH

MIST: Maximum Information Spanning Trees for dimension reduction of biological data sets

(2009) Bracken M. King et al.   BIOINFORMATICS

Pulmonary surfactant phosphatidylglycerol inhibits respiratory syncytial virus-induced inflammation and infection

(2009) M. Numata et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Dewetting and Hydrophobic Interaction in Physical and Biological Systems

(2008) Bruce J. Berne et al.   Annual Review of Physical Chemistry