Molecular docking and molecular dynamics study Lianhua Qingwen granules (LHQW) treats COVID-19 by inhibiting inflammatory response and regulating cell survival

Emerging COVID-19 variants and their impact on SARS-CoV-2 diagnosis, therapeutics and vaccines

(2022) Queenie Fernandes et al.   ANNALS OF MEDICINE

Computational Identification of Possible Allosteric Sites and Modulators of the SARS-CoV-2 Main Protease

(2022) Debarati DasGupta et al.   Journal of Chemical Information and Modeling

Exploring the Pharmacological Mechanisms of Xihuang Pills Against Prostate Cancer via Integrating Network Pharmacology and Experimental Validation In Vitro and In Vivo

(2022) Yongrong Wu et al.   Frontiers in Pharmacology

Polyphenol Rich Forsythia suspensa Extract Alleviates DSS-Induced Ulcerative Colitis in Mice through the Nrf2-NLRP3 Pathway

(2022) Limin Chao et al.   Antioxidants

Allosteric Hotspots in the Main Protease of SARS-CoV-2

(2022) Léonie Strömich et al.   JOURNAL OF MOLECULAR BIOLOGY

Genetic polymorphisms associated with susceptibility to COVID-19 disease and severity: A systematic review and meta-analysis

(2022) Cristine Dieter et al.   PLoS One

Adverse effects of COVID-19 vaccines and measures to prevent them

(2022) Kenji Yamamoto   Virology Journal

Effects of 6-Hydroxykaempferol: A Potential Natural Product for Amelioration of Tendon Impairment

(2022) Tsz Ngai Mok et al.   Frontiers in Pharmacology

Analysis of mechanisms of Shenhuang Granule in treating severe COVID-19 based on network pharmacology and molecular docking

(2022) Xiang-ru Xu et al.   Journal of Integrative Medicine-JIM

Roles of CSF2 as a modulator of inflammation during retinal degeneration

(2022) Kosuke Saita et al.   CYTOKINE

Interference of Interleukin-1β Mediated by Lentivirus Promotes Functional Recovery of Spinal Cord Contusion Injury in Rats via the PI3K/AKT1 Signaling Pathway

(2022) Jun-Feng Cao et al.   MEDIATORS OF INFLAMMATION

Mechanism of N-0385 blocking SARS-CoV-2 to treat COVID-19 based on molecular docking and molecular dynamics

(2022) Jun-Feng Cao et al.   Frontiers in Microbiology

Exploring the mechanism of action of licorice in the treatment of COVID-19 through bioinformatics analysis and molecular dynamics simulation

(2022) Jun-Feng Cao et al.   Frontiers in Pharmacology

Exploring the mechanism of action of dapansutrile in the treatment of gouty arthritis based on molecular docking and molecular dynamics

(2022) Jun-Feng Cao et al.   Frontiers in Physiology

In-silico molecular modelling, MM/GBSA binding free energy and molecular dynamics simulation study of novel pyrido fused imidazo[4,5-c]quinolines as potential anti-tumor agents

(2022) Upala Dasmahapatra et al.   Frontiers in Chemistry

Bioinformatic analyses hinted at augmented T helper 17 cell differentiation and cytokine response as the central mechanism of COVID‐19–associated Guillain‐Barré syndrome

(2021) Zheng Li et al.   CELL PROLIFERATION

Coinfection of tuberculosis and COVID-19 limits the ability to in vitro respond to SARS-CoV-2

(2021) Linda Petrone et al.   INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES

Targeting novel structural and functional features of coronavirus protease nsp5 (3CLpro, Mpro) in the age of COVID-19

(2021) Molly K. Roe et al.   JOURNAL OF GENERAL VIROLOGY

Role of Toll‐like receptors in the pathogenesis of COVID‐19

(2021) Shaghayegh Khanmohammadi et al.   JOURNAL OF MEDICAL VIROLOGY

Kidney disorders as serious adverse drug reactions of remdesivir in coronavirus disease 2019: a retrospective case–noncase study

(2021) Laurent Chouchana et al.   KIDNEY INTERNATIONAL

Novel signaling pathways regulate SARS-CoV and SARS-CoV-2 infectious disease

(2021) Li-Chin Cheng et al.   MEDICINE

Specific TLR4 Blocking Effect of a Novel 3,4-Dihydropyrimidinone Derivative

(2021) Mingqian Zhou et al.   Frontiers in Pharmacology

Essential oils as an effective alternative for the treatment of COVID-19: Molecular interaction analysis of protease (Mpro) with pharmacokinetics and toxicological properties

(2021) Sukanya Panikar et al.   Journal of Infection and Public Health

Clonal expansion and activation of tissue-resident memory-like Th17 cells expressing GM-CSF in the lungs of severe COVID-19 patients

(2021) Yu Zhao et al.   Science Immunology

Reduced frequency of T helper 17 and T helper 1 cells and their association with critical coronavirus disease 2019

(2021) Mehdi Shahbazi et al.   APMIS

SARS-CoV-2 Infection and the COVID-19 Pandemic Emergency: The Importance of Diagnostic Methods

(2021) Marco Ciotti et al.   CHEMOTHERAPY

Circadian clock modulating small molecules repurposing as inhibitors of SARS-CoV-2 Mpro for pharmacological interventions in COVID-19 pandemic

(2021) Armiya Sultan et al.   CHRONOBIOLOGY INTERNATIONAL

Critical Determinants of Cytokine Storm and Type I Interferon Response in COVID-19 Pathogenesis

(2021) Santhamani Ramasamy et al.   CLINICAL MICROBIOLOGY REVIEWS

X-ray screening identifies active site and allosteric inhibitors of SARS-CoV-2 main protease

(2021) Sebastian Günther et al.   SCIENCE

Broad Anti-Viral Capacities of Lian-Hua-Qing-Wen Capsule and Jin-Hua-Qing-Gan Granule and Rational use Against COVID-19 Based on Literature Mining

(2021) Mingfei Shi et al.   Frontiers in Pharmacology

SARS-CoV-2 Mpro: A Potential Target for Peptidomimetics and Small-Molecule Inhibitors

(2021) Andrea Citarella et al.   Biomolecules

Genome-wide bioinformatic analyses predict key host and viral factors in SARS-CoV-2 pathogenesis

(2021) Mariana G. Ferrarini et al.   Communications Biology

Novel approaches for rapid detection of COVID-19 during the pandemic: A review

(2021) Hoda Ilkhani et al.   ANALYTICAL BIOCHEMISTRY

A meta-analysis for Lianhua Qingwen on the treatment of Coronavirus disease 2019 (COVID-19)

(2021) Jieqin Zhuang et al.   COMPLEMENTARY THERAPIES IN MEDICINE

Early IFN-α signatures and persistent dysfunction are distinguishing features of NK cells in severe COVID-19

(2021) Benjamin Krämer et al.   IMMUNITY

Variant-genetic and transcript-expression analysis showed a role for the chemokine-receptor CCR5 in COVID-19 severity

(2021) Elías Cuesta-Llavona et al.   INTERNATIONAL IMMUNOPHARMACOLOGY

Molecular Dynamics Simulations of Phosphorylated Intrinsically Disordered Proteins: A Force Field Comparison

(2021) Ellen Rieloff et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Plant derived active compounds as potential anti SARS-CoV-2 agents: an in-silico study

(2021) Dharmendra Kashyap et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

VAD-MM/GBSA: A Variable Atomic Dielectric MM/GBSA Model for Improved Accuracy in Protein–Ligand Binding Free Energy Calculations

(2021) Ercheng Wang et al.   Journal of Chemical Information and Modeling

Endothelial cell dysfunction, coagulation, and angiogenesis in coronavirus disease 2019 (COVID-19)

(2021) Amir Hossein Norooznezhad et al.   MICROVASCULAR RESEARCH

Correction to ‘The STRING database in 2021: customizable protein–protein networks, and functional characterization of user-uploaded gene/measurement sets’

(2021) Damian Szklarczyk et al.   NUCLEIC ACIDS RESEARCH

The efficacy and safety of Favipiravir in treatment of COVID-19: a systematic review and meta-analysis of clinical trials

(2021) Soheil Hassanipour et al.   Scientific Reports

Comparative transcriptome analyses reveal genes associated with SARS-CoV-2 infection of human lung epithelial cells

(2021) Darshan S. Chandrashekar et al.   Scientific Reports

Clinical Progress on Management of Pneumonia Due to COVID-19 With Chinese Traditional Patent Medicines

(2021) Ying Wu et al.   Frontiers in Pharmacology

COVID-19 vaccines and decreased transmission of SARS-CoV-2

(2021) A. Vitiello et al.   INFLAMMOPHARMACOLOGY

Self-sustaining IL-8 loops drive a prothrombotic neutrophil phenotype in severe COVID-19

(2021) Rainer Kaiser et al.   JCI Insight

The mechanisms and clinical application of Traditional Chinese Medicine Lianhua-Qingwen capsule

(2021) Xuhui Shen et al.   BIOMEDICINE & PHARMACOTHERAPY

The triumvirate of NF-κB, inflammation and cytokine storm in COVID-19

(2021) Ali Attiq et al.   INTERNATIONAL IMMUNOPHARMACOLOGY

Positive effects of Lianhuaqingwen granules in COVID-19 patients: A retrospective study of 248 cases

(2021) Pan Shen et al.   JOURNAL OF ETHNOPHARMACOLOGY

Covid‐19 vaccines and variants of concern: A review

(2021) Ikbel Hadj Hassine   REVIEWS IN MEDICAL VIROLOGY

High Frequencies of Functional Virus-Specific CD4+ T Cells in SARS-CoV-2 Subjects With Olfactory and Taste Disorders

(2021) Dalila Mele et al.   Frontiers in Immunology

Gas6/TAM Signalling Negatively Regulates Inflammatory Induction of GM-CSF in Mouse Brain Microglia

(2021) Shannon E. Gilchrist et al.   Cells

Meta-analysis on the effect of combining Lianhua Qingwen with Western medicine to treat coronavirus disease 2019

(2021) Deng-chao Wang et al.   Journal of Integrative Medicine-JIM

Tumour-derived CSF2/granulocyte macrophage colony stimulating factor controls myeloid cell accumulation and progression of gliomas

(2020) Malgorzata Sielska et al.   BRITISH JOURNAL OF CANCER

Efficacy and safety of Lianhuaqingwen capsules, a repurposed Chinese herb, in patients with coronavirus disease 2019: A multicenter, prospective, randomized controlled trial

(2020) Ke Hu et al.   PHYTOMEDICINE

Integrated strategy for accurately screening biomarkers based on metabolomics coupled with network pharmacology

(2020) Wendan Zhang et al.   TALANTA

The potential insights of Traditional Chinese Medicine on treatment of COVID-19

(2020) Tong Tong et al.   Chinese Medicine

Reduction and Functional Exhaustion of T Cells in Patients With Coronavirus Disease 2019 (COVID-19)

(2020) Bo Diao et al.   Frontiers in Immunology

Potential of MurA Enzyme and GBAP in Fsr Quorum Sensing System as Antibacterial Drugs Target: In vitro and In silico Study of Antibacterial Compounds from Myrmecodia pendans

(2020) Eti Apriyanti et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

CHARMM-GUI supports the Amber force fields

(2020) Jumin Lee et al.   JOURNAL OF CHEMICAL PHYSICS

Review of adverse cutaneous reactions of pharmacologic interventions for coronavirus disease 2019 (COVID-19): a guide for the dermatologist

(2020) Antonio Martinez-Lopez et al.   JOURNAL OF THE AMERICAN ACADEMY OF DERMATOLOGY

Efficacy and safety of Lianhua Qingwen combined with conventional antiviral Western Medicine in the treatment of coronavirus disease (covid-19) in 2019

(2020) Xiaolin Zhang et al.   MEDICINE

COVID-19 revisiting inflammatory pathways of arthritis

(2020) Georg Schett et al.   Nature Reviews Rheumatology

Efficacy of Huoxiang Zhengqi dropping pills and Lianhua Qingwen granules in treatment of COVID-19: A randomized controlled trial

(2020) Mingzhong Xiao et al.   PHARMACOLOGICAL RESEARCH

Lianhuaqingwen exerts anti-viral and anti-inflammatory activity against novel coronavirus (SARS-CoV-2)

(2020) Li Runfeng et al.   PHARMACOLOGICAL RESEARCH

Weathering the Cytokine Storm in COVID-19: Therapeutic Implications

(2020) Giulia Iannaccone et al.   CardioRenal Medicine

Targeting the NLRP3 Inflammasome in Severe COVID-19

(2020) Tracey L. Freeman et al.   Frontiers in Immunology

An overview of the safety, clinical application and antiviral research of the COVID-19 therapeutics

(2020) Dongyuan Wang et al.   Journal of Infection and Public Health

Lianhua Qingwen prescription for Coronavirus disease 2019 (COVID-19) treatment: Advances and prospects

(2020) Liu-Cheng Li et al.   BIOMEDICINE & PHARMACOTHERAPY

Molecular dynamics simulation, free energy landscape and binding free energy computations in exploration the anti-invasive activity of amygdalin against metastasis

(2020) Khattab Al-Khafaji et al.   COMPUTER METHODS AND PROGRAMS IN BIOMEDICINE

Alchemical Binding Free Energy Calculations in AMBER20: Advances and Best Practices for Drug Discovery

(2020) Tai-Sung Lee et al.   Journal of Chemical Information and Modeling

The prognostic role of neopterin in COVID‐19 patients

(2020) Hasan Selcuk Ozger et al.   JOURNAL OF MEDICAL VIROLOGY

Traditional Chinese medicine Lianhua Qingwen treating corona virus disease 2019(COVID-19): Meta-analysis of randomized controlled trials

(2020) Mengjie Zeng et al.   PLoS One

Cytokine storm and COVID-19: a chronicle of pro-inflammatory cytokines

(2020) Antonella Fara et al.   Open Biology

Update in COVID-19 in the Intensive Care Unit from the 2020 HELLENIC Athens International Symposium

(2020) Jordi Rello et al.   Anaesthesia Critical Care & Pain Medicine

Integrated Analysis of lncRNA–Mediated ceRNA Network in Lung Adenocarcinoma

(2020) Xianxian Wu et al.   Frontiers in Oncology

An Updated Review on SARS-CoV-2 Main Proteinase (MPro): Protein Structure and Small-Molecule Inhibitors

(2020) Dima A. Sabbah et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

An integrated network pharmacology and RNA-Seq approach for exploring the preventive effect of Lonicerae japonicae flos on LPS-induced acute lung injury

(2020) Chang liu et al.   JOURNAL OF ETHNOPHARMACOLOGY

Inflammasomes are activated in response to SARS-CoV-2 infection and are associated with COVID-19 severity in patients

(2020) Tamara S. Rodrigues et al.   JOURNAL OF EXPERIMENTAL MEDICINE

The interplay between inflammatory pathways and COVID-19: A critical review on pathogenesis and therapeutic options

(2020) Shalki Choudhary et al.   MICROBIAL PATHOGENESIS

Similarity and Specificity of Traditional Chinese Medicine Formulas for Management of Coronavirus Disease 2019 and Rheumatoid Arthritis

(2020) Zheng Li et al.   ACS Omega

Efficacy and safety of herbal medicine (Lianhuaqingwen) for treating COVID-19: A systematic review and meta-analysis

(2020) Ming Liu et al.   Integrative Medicine Research

Methodological uncertainties in drug-receptor binding free energy predictions based on classical molecular dynamics

(2020) Piero Procacci   CURRENT OPINION IN STRUCTURAL BIOLOGY

Calculation of Protein-Protein Binding Free Energies using Umbrella Sampling with Dual Resolution Water Models

(2019) Jagdish Suresh Patel et al.   BIOPHYSICAL JOURNAL

Using AMBER18 for Relative Free Energy Calculations

(2019) Lin Frank Song et al.   Journal of Chemical Information and Modeling

Identification of Constituents Affecting the Secretion of Pro-Inflammatory Cytokines in LPS-Induced U937 Cells by UHPLC-HRMS-Based Metabolic Profiling of the Traditional Chinese Medicine Formulation Huangqi Jianzhong Tang

(2019) Nöst et al.   MOLECULES

The protective effect of Lonicera japonica polysaccharide on mice with depression by inhibiting NLRP3 inflammasome

(2019) Ping Liu et al.   Annals of Translational Medicine

Fast and flexible gpu accelerated binding free energy calculations within the amber molecular dynamics package

(2018) Daniel J. Mermelstein et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

GPU-Accelerated Molecular Dynamics and Free Energy Methods in Amber18: Performance Enhancements and New Features

(2018) Tai-Sung Lee et al.   Journal of Chemical Information and Modeling

Role of the CXCL8-CXCR1/2 Axis in Cancer and Inflammatory Diseases

(2017) Helen Ha et al.   Theranostics

The CXCL8-CXCR1/2 pathways in cancer

(2016) Qian Liu et al.   CYTOKINE & GROWTH FACTOR REVIEWS

Effect of Lianhuaqingwen Capsules on Airway Inflammation in Patients with Acute Exacerbation of Chronic Obstructive Pulmonary Disease

(2014) Liang Dong et al.   Evidence-based Complementary and Alternative Medicine

Steered Molecular Dynamics Simulations for Studying Protein–Ligand Interaction in Cyclin-Dependent Kinase 5

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Differential allelic expression of IL13 and CSF2 genes associated with asthma

(2012) Jana Burkhardt et al.   GENETICS AND MOLECULAR BIOLOGY