Molecular insights into the anti‐inflammatory activity of fermented pineapple juice using multimodal computational studies

Mechanistic insights of Cucumis melo L. seeds for gastrointestinal muscle spasms through calcium signaling pathway–related gene regulation networks in WGCNA and in vitro, in vivo studies

(2023) Muqeet Wahid et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Resveratrol, Epigallocatechin Gallate and Curcumin for Cancer Therapy: Challenges from Their Pro-Apoptotic Properties

(2023) Adele Chimento et al.   Life-Basel

Antibacterial and Antioxidant Activity of Ecoenzyme Solution Prepared from Papaya, Pineapple, and Kasturi Orange Fruits: Experimental and Molecular Docking Studies

(2023) Trina Ekawati Tallei et al.   JOURNAL OF FOOD PROCESSING AND PRESERVATION

In silico analysis and molecular docking studies of natural compounds of Withania somnifera against bovine NLRP9

(2023) Aarif Ali et al.   JOURNAL OF MOLECULAR MODELING

Change of phytochemicals and bioactive substances in Lactobacillus fermented Citrus juice during the fermentation process

(2023) Haiyan Xu et al.   LWT-FOOD SCIENCE AND TECHNOLOGY

Polyphenols: A first evidence in the synergism and bioactivities

(2022) Saikat Mitra et al.   FOOD REVIEWS INTERNATIONAL

An Insight Based on Computational Analysis of the Interaction between the Receptor-Binding Domain of the Omicron Variants and Human Angiotensin-Converting Enzyme 2

(2022) Ismail Celik et al.   Biology-Basel

Virus Infection and Systemic Inflammation: Lessons Learnt from COVID-19 and Beyond

(2022) Aileen Faist et al.   Cells

Anti-Inflammatory Function of Plant-Derived Bioactive Peptides: A Review

(2022) Wanlu Liu et al.   Foods

Acute and long-term exercise differently modulate plasma levels of oxylipins, endocannabinoids, and their analogues in young sedentary adults: A sub-study and secondary analyses from the ACTIBATE randomized controlled-trial

(2022) Lucas Jurado-Fasoli et al.   EBioMedicine

Molecular dynamics and in silico mutagenesis on the reversible inhibitor-bound SARS-CoV-2 main protease complexes reveal the role of lateral pocket in enhancing the ligand affinity

(2021) Ying Li Weng et al.   Scientific Reports

Bromelain a Potential Bioactive Compound: A Comprehensive Overview from a Pharmacological Perspective

(2021) Arka Jyoti Chakraborty et al.   Life-Basel

Inflammation-Induced Tumorigenesis and Metastasis

(2021) Sana Hibino et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

GNINA 1.0: molecular docking with deep learning

(2021) Andrew T. McNutt et al.   Journal of Cheminformatics

An Analysis Based on Molecular Docking and Molecular Dynamics Simulation Study of Bromelain as Anti-SARS-CoV-2 Variants

(2021) Trina Ekawati Tallei et al.   Frontiers in Pharmacology

The Role of Bioactive Peptides in Diabetes and Obesity

(2021) Ramachandran Chelliah et al.   Foods

In Silico Drug Repurposing for Anti-Inflammatory Therapy: Virtual Search for Dual Inhibitors of Caspase-1 and TNF-Alpha

(2021) Alejandro Speck-Planche et al.   Biomolecules

Impact of Fermentation on the Phenolic Compounds and Antioxidant Activity of Whole Cereal Grains: A Mini Review

(2020) Oluwafemi Ayodeji Adebo et al.   MOLECULES

Multiple roles of caspase‐8 in cell death, inflammation, and innate immunity

(2020) Pontus Orning et al.   JOURNAL OF LEUKOCYTE BIOLOGY

Impact of Lactobacillus paracasei IMC502 in coculture with traditional starters on volatile and non-volatile metabolite profiles in yogurt

(2020) Yuxiang Gu et al.   PROCESS BIOCHEMISTRY

Plants as Sources of Anti-Inflammatory Agents

(2020) Clara dos Reis Nunes et al.   MOLECULES

An in-silico evaluation of different bioactive molecules of tea for their inhibition potency against non structural protein-15 of SARS-CoV-2

(2020) Jatin Sharma et al.   FOOD CHEMISTRY

Derivatives of Piperazines as Potential Therapeutic Agents for Alzheimer’s Disease

(2019) Elena Popugaeva et al.   MOLECULAR PHARMACOLOGY

Inflammation and Its Role in Regeneration and Repair

(2019) John P. Cooke   CIRCULATION RESEARCH

Chronic Inflammation as an Immunological Abnormality and Effectiveness of Exercise

(2019) Katsuhiko Suzuki   Biomolecules

Computational Approaches for Drug Discovery

(2019) Brogi   MOLECULES

Based on network pharmacology to explore the molecular mechanisms of astragalus membranaceus for treating T2 diabetes mellitus

(2019) Jie Li et al.   Annals of Translational Medicine

Chronic inflammation in the etiology of disease across the life span

(2019) David Furman et al.   NATURE MEDICINE

Changes in physico-chemical, astringency, volatile compounds and antioxidant activity of fresh and concentrated cashew apple juice fermented with Lactobacillus plantarum

(2018) Ratchadaporn Kaprasob et al.   JOURNAL OF FOOD SCIENCE AND TECHNOLOGY-MYSORE

Bioactive Lipids and Chronic Inflammation: Managing the Fire Within

(2018) Valerio Chiurchiù et al.   Frontiers in Immunology

How to Achieve Better Results Using PASS-Based Virtual Screening: Case Study for Kinase Inhibitors

(2018) Pavel V. Pogodin et al.   Frontiers in Chemistry

Peptides as Therapeutic Agents for Inflammatory-Related Diseases

(2018) Sara La Manna et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Salt Bridge in Ligand–Protein Complexes—Systematic Theoretical and Statistical Investigations

(2018) Rafał Kurczab et al.   Journal of Chemical Information and Modeling

Computational platform Way2Drug: from the prediction of biological activity to drug repurposing

(2017) D. S. Druzhilovskiy et al.   RUSSIAN CHEMICAL BULLETIN

Inflammatory responses and inflammation-associated diseases in organs

(2017) Linlin Chen et al.   Oncotarget

Shared Risk Factors in Cardiovascular Disease and Cancer

(2016) Ryan J. Koene et al.   CIRCULATION

Novel n-3 PUFA monoacylglycerides of pharmacological and medicinal interest: Anti-inflammatory and anti-proliferative effects

(2016) Rayan Khaddaj-Mallat et al.   EUROPEAN JOURNAL OF PHARMACOLOGY

Volatile Compounds Produced byLactobacillus paracaseiDuring Oat Fermentation

(2016) Sang Mi Lee et al.   JOURNAL OF FOOD SCIENCE

CHARMM36m: an improved force field for folded and intrinsically disordered proteins

(2016) Jing Huang et al.   NATURE METHODS

Hydrogen Bonds Computing Server(HBCS): an online web server to compute hydrogen-bond interactions and their precision

(2016) M. Gurusaran et al.   JOURNAL OF APPLIED CRYSTALLOGRAPHY

Regulation of protein-ligand binding affinity by hydrogen bond pairing

(2016) D. Chen et al.   Science Advances

CHARMM-GUI Input Generator for NAMD, GROMACS, AMBER, OpenMM, and CHARMM/OpenMM Simulations Using the CHARMM36 Additive Force Field

(2015) Jumin Lee et al.   Journal of Chemical Theory and Computation

Oral administration of the milk casein-derived tripeptide Val-Pro-Pro attenuates high-fat diet-induced adipose tissue inflammation in mice

(2014) Kotaro Aihara et al.   BRITISH JOURNAL OF NUTRITION

Prediction of the Biological Activity Spectra of Organic Compounds Using the Pass Online Web Resource

(2014) D. A. Filimonov et al.   Chemistry of Heterocyclic Compounds

Lipid Mediators in the Resolution of Inflammation

(2014) Charles N. Serhan et al.   Cold Spring Harbor Perspectives in Biology

IL-6 in Inflammation, Immunity, and Disease

(2014) T. Tanaka et al.   Cold Spring Harbor Perspectives in Biology

Phytosphingosine Derivatives Ameliorate Skin Inflammation by Inhibiting NF-κB and JAK/STAT Signaling in Keratincoytes and Mice

(2013) Byung-Hak Kim et al.   JOURNAL OF INVESTIGATIVE DERMATOLOGY

The Role of Mitogen-Activated Protein Kinase-Activated Protein Kinases (MAPKAPKs) in Inflammation

(2013) Ugo Moens et al.   Genes

Quantitative Prediction of Antitarget Interaction Profiles for Chemical Compounds

(2012) Alexey V. Zakharov et al.   CHEMICAL RESEARCH IN TOXICOLOGY

Scientific Evidence and Rationale for the Development of Curcumin and Resveratrol as Nutraceutricals for Joint Health

(2012) Ali Mobasheri et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Targeting inflammation by modulating the Jun/AP-1 pathway

(2011) H. B. Schonthaler et al.   ANNALS OF THE RHEUMATIC DISEASES

Cancer-related inflammation, the seventh hallmark of cancer: links to genetic instability

(2009) F. Colotta et al.   CARCINOGENESIS

The NF- B Family of Transcription Factors and Its Regulation

(2009) A. Oeckinghaus et al.   Cold Spring Harbor Perspectives in Biology

The IκB kinase complex: master regulator of NF-κB signaling

(2008) Laura A. Solt et al.   IMMUNOLOGIC RESEARCH