☆ 4.7 Article

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

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

相关参考文献

注意：仅列出部分参考文献，下载原文获取全部文献信息。

Review Biochemistry & Molecular Biology

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

Anwarul Hasan et al.

Summary: This review discusses the interactions between the novel coronavirus SARS-CoV-2 and human cells, highlighting the role of important receptors like ACE-2 and furin in the virus invasion. It explores the potential inhibitory effects of compounds on the virus, as well as future prospects for drug development.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

Targeting SARS-CoV-2: a systematic drug repurposing approach to identify promising inhibitors against 3C-like proteinase and 2′-O-ribose methyltransferase

Rameez Jabeer Khan et al.

Summary: The study focused on identifying promising inhibitors from pre-existing antiviral drugs targeting two druggable proteins, 3CLpro and 2'-O-MTase, through screening and MD simulations to suggest potential therapeutic drugs against SARS-CoV-2.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

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

I. Aanouz et al.

Summary: The new coronavirus, known as SARS-CoV-2, first appeared in Wuhan, China. Research is being done on natural herbal remedies, with three molecules showing potential as inhibitors against the coronavirus.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

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

Subramanian Boopathi et al.

Summary: The world has faced several infectious disease outbreaks in the past two decades, with the novel coronavirus 2019 having a significant global impact. With millions infected and thousands dead, only a few Asian countries have managed to control the disease, but a second wave of infections is expected. Predicting inhibitors and targets for COVID-19 is urgent, with computer-aided drug design playing a crucial role in this process.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

Identification of chymotrypsin-like protease inhibitors of SARS-CoV-2viaintegrated computational approach

Salman Ali Khan et al.

Summary: In response to the outbreak of SARS-CoV-2, researchers are investigating the development of antiviral drugs targeting the Chymotrypsin-like protease to combat the infection. Through computational drug design methods, potential inhibitors have been identified from FDA-approved antiviral drugs and natural compounds, with further evaluation of their binding affinity and stability through MD simulation and binding free energy calculations. The results suggest that these compounds have the potential to inhibit the function of Coronavirus' Chymotrypsin-like protease, contributing to the search for new inhibitors against the vital pathway of the virus for drug discovery.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Letter Biochemistry & Molecular Biology

Computational studies of drug repurposing and synergism of lopinavir, oseltamivir and ritonavir binding with SARS-CoV-2 protease against COVID-19

Nisha Muralidharan et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

Drug repurposing for coronavirus (COVID-19): in silico screening of known drugs against coronavirus 3CL hydrolase and protease enzymes

Ammar D. Elmezayen et al.

Summary: This study attempted to identify commercially available drugs for repurposing against coronavirus through structure-based virtual screening, successfully finding multiple potential inhibitors. The 3D structure of TMPRSS2 was generated using homology modeling, and promising inhibitors were identified through docking studies. ADMET profiles showed that the compounds discovered in the study are safe and drug-like.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

In-silicoapproaches to detect inhibitors of the human severe acute respiratory syndrome coronavirus envelope protein ion channel

Manoj Kumar Gupta et al.

Summary: This study investigated the structure, function, and interaction of the human SARS-CoV2 E protein with phytochemicals using computational methods. The results showed that certain phytochemicals can inhibit the protein's function, potentially serving as drugs to control diseases caused by SARS-CoV2.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

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

Maryam Enayatkhani et al.

Summary: This study utilized bioinformatics approaches to design a novel multi-epitope vaccine against the novel Coronavirus, potentially triggering multiple immune responses. Computational tools were used to validate the biological activities of the vaccine, predict the binding of the protein candidate with Toll-like receptor 4 and HLA-A*11:01, and molecular dynamics simulation was employed to evaluate the stability of the designed fusion protein with the receptors.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

Novel guanosine derivatives against MERS CoV polymerase: An in silico perspective

Abdo A. Elfiky et al.

Summary: MERS CoV is a new viral infection with high mortality rate and shares similarity with Hepatitis C Virus RNA dependent RNA polymerase. The study suggests using anti-polymerases as potential candidates against MERS CoV RdRp, and identifies four novel compounds as high performance inhibitors.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Article Biochemistry & Molecular Biology

In-silico homology assisted identification of inhibitor of RNA binding against 2019-nCoV N-protein (N terminal domain)

Phulen Sarma et al.

Summary: This study targeted the RNA-binding N terminal domain of the N protein of coronavirus to identify possible inhibitors of RNA binding. Theophylline and pyrimidone derivatives were identified as potential inhibitors, opening up new avenues for in vitro validations of their RNA binding inhibition capabilities.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2021)

添加到收藏夹

Editorial Material Infectious Diseases

The continuing 2019-nCoV epidemic threat of novel coronaviruses to global health - The latest 2019 novel coronavirus outbreak in Wuhan, China

David S. Hui et al.

INTERNATIONAL JOURNAL OF INFECTIOUS DISEASES (2020)

添加到收藏夹

Editorial Material Public, Environmental & Occupational Health

The COVID-19 epidemic

Thirumalaisamy P. Velavan et al.

TROPICAL MEDICINE & INTERNATIONAL HEALTH (2020)

添加到收藏夹

Letter Immunology

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

Maurizio Guastalegname et al.

CLINICAL INFECTIOUS DISEASES (2020)

添加到收藏夹

Article Mathematical & Computational Biology

In Silico Drug-Designing Studies on Flavanoids as Anticolon Cancer Agents: Pharmacophore Mapping, Molecular Docking, and Monte Carlo Method-Based QSAR Modeling

Lalitha Simon et al.

INTERDISCIPLINARY SCIENCES-COMPUTATIONAL LIFE SCIENCES (2017)

添加到收藏夹

Article Biochemistry & Molecular Biology

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

Faryal Mehwish Awan et al.

INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES (2017)

添加到收藏夹

Article Multidisciplinary Sciences

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

Antoine Daina et al.

SCIENTIFIC REPORTS (2017)

添加到收藏夹

Article Biochemistry & Molecular Biology

Monomerization alters the dynamics of the lid region in Campylobacter jejuni CstII: an MD simulation study

Pradeep Kumar Prabhakar et al.

JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS (2016)

添加到收藏夹

Editorial Material Pharmacology & Pharmacy

What is the future of PEGylated therapies?

Magdalena Swierczewska et al.

EXPERT OPINION ON EMERGING DRUGS (2015)

添加到收藏夹

Article Biochemistry & Molecular Biology

iMODS: internal coordinates normal mode analysis server

Jose Ramon Lopez-Blanco et al.

NUCLEIC ACIDS RESEARCH (2014)

添加到收藏夹

Article Biochemical Research Methods

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

Jed Zaretzki et al.

BIOINFORMATICS (2013)

添加到收藏夹

Review Pharmacology & Pharmacy

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

Christopher A. Lipinski et al.

ADVANCED DRUG DELIVERY REVIEWS (2012)

添加到收藏夹

Article Biochemical Research Methods

iMod: multipurpose normal mode analysis in internal coordinates

Jose Ramon Lopez-Blanco et al.

BIOINFORMATICS (2011)

添加到收藏夹

Article Chemistry, Multidisciplinary

The Operational Multiple Dosing Half-life: A Key to Defining Drug Accumulation in Patients and to Designing Extended Release Dosage Forms

Selma Sahin et al.

PHARMACEUTICAL RESEARCH (2008)

添加到收藏夹

Article Biochemistry & Molecular Biology

Optimization of parameters for semiempirical methods V: Modification of NDDO approximations and application to 70 elements

James J. P. Stewart

JOURNAL OF MOLECULAR MODELING (2007)

添加到收藏夹

Article Biochemistry & Molecular Biology

PHASE: a new engine for pharmacophore perception, 3D QSAR model development, and 3D database screening: 1. Methodology and preliminary results

Steven L. Dixon et al.

JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN (2006)

添加到收藏夹

Article Multidisciplinary Sciences

Structure of SARS coronavirus spike receptor-binding domain complexed with receptor

F Li et al.

SCIENCE (2005)

添加到收藏夹

Review Pharmacology & Pharmacy

Predictive in silico modeling for hERG channelblockers

MM Aronov

DRUG DISCOVERY TODAY (2005)

添加到收藏夹

Article Chemistry, Applied

Composition of the volatile oil from the aerial parts of Trachyspermum ammi (L.) Sprague from Oran (Algeria)

N Kambouche et al.

JOURNAL OF ESSENTIAL OIL RESEARCH (2003)

添加到收藏夹

Article Chemistry, Medicinal

Molecular properties that influence the oral bioavailability of drug candidates

DF Veber et al.

JOURNAL OF MEDICINAL CHEMISTRY (2002)

添加到收藏夹

Article Chemistry, Medicinal

Simple selection criteria for drug-like chemical matter

I Muegge et al.

JOURNAL OF MEDICINAL CHEMISTRY (2001)

添加到收藏夹

Article Chemistry, Medicinal

Prediction of drug absorption using multivariate statistics

WJ Egan et al.

JOURNAL OF MEDICINAL CHEMISTRY (2000)

添加到收藏夹

Article Biochemical Research Methods

PASS: prediction of activity spectra for biologically active substances

A Lagunin et al.

BIOINFORMATICS (2000)

添加到收藏夹

© Peeref 2019-2024. All rights reserved.