Potential inhibitors of angiotensin converting enzyme 2 receptor of COVID-19 by Corchorus olitorius Linn using docking, molecular dynamics, conceptual DFT investigation and pharmacophore mapping

In silico design of enzyme α-amylase and α-glucosidase inhibitors using molecular docking, molecular dynamic, conceptual DFT investigation and pharmacophore modelling

(2021) Hadjer Chenafa et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Emerging coronaviruses: Genome structure, replication, and pathogenesis

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

Could Chloroquine /Hydroxychloroquine Be Harmful in Coronavirus Disease 2019 (COVID-19) Treatment?

(2020) Maurizio Guastalegname et al.   CLINICAL INFECTIOUS DISEASES

A review on the cleavage priming of the spike protein on coronavirus by angiotensin-converting enzyme-2 and furin

(2020) Anwarul Hasan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Structural and Simulation analysis of hot spot residues interactions of SARS-CoV 2 with Human ACE2 receptor

(2020) Ganesh Kumar Veeramachaneni et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Moroccan Medicinal plants as inhibitors against SARS-CoV-2 main protease: Computational investigations

(2020) I. Aanouz et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In silico study the inhibition of angiotensin converting enzyme 2 receptor of COVID-19 by Ammoides verticillata components harvested from Western Algeria

(2020) Imane Abdelli et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Novel 2019 coronavirus structure, mechanism of action, antiviral drug promises and rule out against its treatment

(2020) Subramanian Boopathi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Reverse vaccinology approach to design a novel multi-epitope vaccine candidate against COVID-19: an in silico study

(2020) Maryam Enayatkhani et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Three new acrylic acid derivatives from Achillea mellifolium as potential thymidine phosphorylase inhibitor: molecular docking and MD simulation studies

(2020) Sadia Naz et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Chemical composition variability and vascular endothelial growth factor receptors inhibitory activity of Inulaviscosa essential oils from Algeria

(2020) Bouhassane Nadia et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Statistical analysis/theoretical investigations of novel vascular endothelial growth factor of Davanoide from Scolymus grandifloras Desf as potent anti-angiogenic drug properties

(2020) Mohammed Semaoui et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Natural compounds as angiogenic enzyme thymidine phosphorylase inhibitors: In vitro biochemical inhibition, mechanistic, and in silico modeling studies

(2019) Sumaira Javaid et al.   PLoS One

Quantitative structure–activity relationships analysis, homology modeling, docking and molecular dynamics studies of triterpenoid saponins as Kirsten rat sarcoma inhibitors

(2019) Mourad Stitou et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Combined QSAR, molecular docking and molecular dynamics study on new Acetylcholinesterase and Butyrylcholinesterase inhibitors

(2018) Ismail Daoud et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Mutation-Structure-Function Relationship Based Integrated Strategy Reveals the Potential Impact of Deleterious Missense Mutations in Autophagy Related Proteins on Hepatocellular Carcinoma (HCC): A Comprehensive Informatics Approach

(2017) Faryal Awan et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Polyphenolic compounds with anti-tumour potential from Corchorus olitorius (L.) Tiliaceae, a Nigerian leaf vegetable

(2016) Bamigboye J. Taiwo et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Descriptors for jute (Corchorus olitorius L.)

(2016) Mohamed Loumerem et al.   GENETIC RESOURCES AND CROP EVOLUTION

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

Revealing pharmacodynamics of medicinal plants using in silico approach: A case study with wet lab validation

(2014) Damanpreet Singh et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Challenges, Applications, and Recent Advances of Protein-Ligand Docking in Structure-Based Drug Design

(2014) Sam Grinter et al.   MOLECULES

iMODS: internal coordinates normal mode analysis server

(2014) José Ramón López-Blanco et al.   NUCLEIC ACIDS RESEARCH

Gastroprotective effects ofCorchorus olitoriusleaf extract against ethanol-induced gastric mucosal hemorrhagic lesions in rats

(2013) Rami Al Batran et al.   JOURNAL OF GASTROENTEROLOGY AND HEPATOLOGY

RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules

(2012) J. Zaretzki et al.   BIOINFORMATICS

Gastroprotective Activity ofPolygonum chinenseAqueous Leaf Extract on Ethanol-Induced Hemorrhagic Mucosal Lesions in Rats

(2012) Iza Farhana Ismail et al.   Evidence-based Complementary and Alternative Medicine

Induction of Apoptosis by Ethanolic Extract of Corchorus olitorius Leaf in Human Hepatocellular Carcinoma (HepG2) Cells via a Mitochondria-Dependent Pathway

(2012) Chia-Jung Li et al.   MOLECULES

Prediction of structural and thermodynamic properties of three products: 1-bromobenzene, tetrachlorethylene and 4-hydroxy-chromen-2-one using numerical methods

(2012) Fouzia Mesli et al.   RESEARCH ON CHEMICAL INTERMEDIATES

iMod: multipurpose normal mode analysis in internal coordinates

(2011) José Ramón Lopéz-Blanco et al.   BIOINFORMATICS

Antiobesity effect of polyphenolic compounds from molokheiya (Corchorus olitorius L.) leaves in LDL receptor-deficient mice

(2010) Li Wang et al.   EUROPEAN JOURNAL OF NUTRITION

Arsenic-induced myocardial injury: Protective role of Corchorus olitorius leaves

(2010) Anup K. Das et al.   FOOD AND CHEMICAL TOXICOLOGY

The Rule of Five for Non-Oral Routes of Drug Delivery: Ophthalmic, Inhalation and Transdermal

(2010) Young Bin Choy et al.   PHARMACEUTICAL RESEARCH

Characterization of the antioxidant properties of hydrophilic and lipophilic extracts of Jute (Corchorus olitorius) leaf

(2009) G. Oboh et al.   INTERNATIONAL JOURNAL OF FOOD SCIENCES AND NUTRITION