Exploring the inhibitory potential of novel bioactive compounds from mangrove actinomycetes against nsp10 the major activator of SARS-CoV-2 replication

Exploring the New Potential Antiviral Constituents of Moringa oliefera for SARS-COV-2 Pathogenesis: An in Silico Molecular Docking and Dynamic Studies

(2021) Shabbir Muhammad et al.   CHEMICAL PHYSICS LETTERS

Synthesis, antioxidant, antimicrobial and antiviral docking studies of ethyl 2-(2-(arylidene)hydrazinyl)thiazole-4-carboxylates

(2021) Muhammad Haroon et al.   ZEITSCHRIFT FUR NATURFORSCHUNG SECTION C-A JOURNAL OF BIOSCIENCES

Exploring the potential of novel phenolic compounds as potential therapeutic candidates against SARS-CoV-2, using quantum chemistry, molecular docking and dynamic studies

(2021) Maimoona Zia et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Novel Wuhan (2019-nCoV) Coronavirus

(2020) W. Graham Carlos et al.   AMERICAN JOURNAL OF RESPIRATORY AND CRITICAL CARE MEDICINE

The epidemiology and pathogenesis of coronavirus disease (COVID-19) outbreak

(2020) Hussin A. Rothan et al.   JOURNAL OF AUTOIMMUNITY

Mass Spectral Fragmentation of Pelargonium graveolens Essential Oil Using GC–MS Semi-Empirical Calculations and Biological Potential

(2020) Mamoun S. M. Abd El-Kareem et al.   Processes

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

(2020) Rameez Jabeer Khan et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Potential Drugs Targeting Early Innate Immune Evasion of SARS-Coronavirus 2 via 2’-O-Methylation of Viral RNA

(2020) José Antonio Encinar et al.   Viruses-Basel

In silico investigation of phytoconstituents from Indian medicinal herb ‘Tinospora cordifolia (giloy)’ against SARS-CoV-2 (COVID-19) by molecular dynamics approach

(2020) Papia Chowdhury   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Biological and epidemiological trends in the prevalence and mortality due to outbreaks of novel coronavirus COVID-19

(2020) Sultan Ayoub Meo et al.   JOURNAL OF KING SAUD UNIVERSITY SCIENCE

The inhibitory effect of some natural bioactive compounds against SARS-CoV-2 main protease: insights from molecular docking analysis and molecular dynamic simulation

(2020) Doaa A. Abdelrheem et al.   JOURNAL OF ENVIRONMENTAL SCIENCE AND HEALTH PART A-TOXIC/HAZARDOUS SUBSTANCES & ENVIRONMENTAL ENGINEERING

High-resolution structures of the SARS-CoV-2 2′-O-methyltransferase reveal strategies for structure-based inhibitor design

(2020) Monica Rosas-Lemus et al.   Science Signaling

Electrostatic potential and non-covalent interactions analysis for the design of selective 5-HT7 ligands

(2019) Katarzyna Rzęsikowska et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

ADMET profiling of geographically diverse phytochemical using chemoinformatic tools

(2019) Shehnaz Fatima et al.   Future Medicinal Chemistry

Screening of promising molecules against MurG as drug target in multi-drug-resistant-Acinetobacter baumannii - insights from comparative protein modeling, molecular docking and molecular dynamics simulation

(2019) Gizachew Muluneh Amera et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

An Orbital-Overlap Complement to Ligand and Binding Site Electrostatic Potential Maps

(2018) Arshad Mehmood et al.   Journal of Chemical Information and Modeling

Evaluation of antibacterial potential of mangrove sediment-derived actinomycetes

(2017) Suthinee Sangkanu et al.   MICROBIAL PATHOGENESIS

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

(2017) Antoine Daina et al.   Scientific Reports

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Antiviral Indolosesquiterpenoid Xiamycins C–E from a Halophilic Actinomycete

(2015) Seong-Hwan Kim et al.   JOURNAL OF NATURAL PRODUCTS

Structural basis and functional analysis of the SARS coronavirus nsp14–nsp10 complex

(2015) Yuanyuan Ma et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

CoronavirusNsp10, a Critical Co-factor for Activation of Multiple Replicative Enzymes

(2014) Mickaël Bouvet et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Attenuation and Restoration of Severe Acute Respiratory Syndrome Coronavirus Mutant Lacking 2'-O-Methyltransferase Activity

(2014) V. D. Menachery et al.   JOURNAL OF VIROLOGY

Natural Products from Mangrove Actinomycetes

(2014) Dong-Bo Xu et al.   Marine Drugs

Dual descriptor and molecular electrostatic potential: complementary tools for the study of the coordination chemistry of ambiphilic ligands

(2014) Frédéric Guégan et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Kandenols A–E, Eudesmenes from an Endophytic Streptomyces sp. of the Mangrove Tree Kandelia candel

(2012) Ling Ding et al.   JOURNAL OF NATURAL PRODUCTS

Protein structure validation by generalized linear model root-mean-square deviation prediction

(2011) Anurag Bagaria et al.   PROTEIN SCIENCE

Biochemical and Structural Insights into the Mechanisms of SARS Coronavirus RNA Ribose 2′-O-Methylation by nsp16/nsp10 Protein Complex

(2011) Yu Chen et al.   PLoS Pathogens

Crystal Structure and Functional Analysis of the SARS-Coronavirus RNA Cap 2′-O-Methyltransferase nsp10/nsp16 Complex

(2011) Etienne Decroly et al.   PLoS Pathogens

Xiamycin, a pentacyclic indolosesquiterpene with selective anti-HIV activity from a bacterial mangrove endophyte

(2010) Ling Ding et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

(2009) Garrett M. Morris et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

Radius of gyration as an indicator of protein structure compactness

(2008) M. Yu. Lobanov et al.   MOLECULAR BIOLOGY

A normalized root-mean-spuare distance for comparing protein three-dimensional structures

(2002) Oliviero Carugo et al.   PROTEIN SCIENCE