Multiple QSAR and molecular modelling for identification of potent human adenovirus inhibitors

Discovery of a Small Molecule Inhibitor of Human Adenovirus Capable of Preventing Escape from the Endosome

(2021) Jimin Xu et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Substituted N-(4-amino-2-chlorophenyl)-5-chloro-2-hydroxybenzamide analogues potently inhibit respiratory syncytial virus (RSV) replication and RSV infection-associated inflammatory responses

(2021) Jimin Xu et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Synthesis, Spectroscopic, In-vitro and Computational analysis of hydrazones as potential antituberculosis agents: (Part-I)

(2020) Bapu R. Thorat et al.   COMBINATORIAL CHEMISTRY & HIGH THROUGHPUT SCREENING

Epidemiology of Human Adenoviruses: A 20-Year Retrospective Observational Study in Hospitalized Patients in Bern, Switzerland

(2020) Joyce Odeke Akello et al.   Clinical Epidemiology

In silico evaluation of flavonoids as effective antiviral agents on the spike glycoprotein of SARS-CoV-2

(2020) Anisha S. Jain et al.   SAUDI JOURNAL OF BIOLOGICAL SCIENCES

Molecular Evolution of Human Adenovirus (HAdV) Species C

(2019) Akshay Dhingra et al.   Scientific Reports

Molecular modelling studies on adamantane-based Ebola virus GP-1 inhibitors using docking, pharmacophore and 3D-QSAR

(2019) S.N. Mali et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

Design, synthesis, antimicrobial activity and computational studies of novel azo linked substituted benzimidazole, benzoxazole and benzothiazole derivatives

(2019) Virendra R. Mishra et al.   COMPUTATIONAL BIOLOGY AND CHEMISTRY

Comparative drug resistance reversal potential of natural glycosides Synergy potential of niaziridin&niazirin

(2019) Gaurav Raj Dwivedi et al.   CURRENT TOPICS IN MEDICINAL CHEMISTRY

Synthesis, In-Silico and biological studies of thiazolyl-2h-chromen-2-one derivatives as potent antitubercular agents

(2019) Bhagwat S. Jadhav et al.   Current Computer-Aided Drug Design

Synthesis, bioactivities, DFT and in-silico appraisal of azo clubbed benzothiazole derivatives

(2019) Chaitannya W. Ghanavatkar et al.   JOURNAL OF MOLECULAR STRUCTURE

Synthesis and Anti-mycobacterium Study of halo-substituted 2-aryloxyacetohydrazones

(2019) Vijay J. Desale et al.   Current Computer-Aided Drug Design

Synthesis, SAR, In-Silico appraisal and Anti-Microbial Study of substituted 2-aminobenzothiazoles derivatives

(2019) Devidas G. Anuse et al.   Current Computer-Aided Drug Design

Synergy of clavine alkaloid ‘chanoclavine’ with tetracycline against multi-drug-resistant E. coli

(2018) Gaurav Raj Dwivedi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

(2018) Hongbin Yang et al.   BIOINFORMATICS

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

(2017) Antoine Daina et al.   Scientific Reports

SwissSimilarity: A Web Tool for Low to Ultra High Throughput Ligand-Based Virtual Screening

(2016) Vincent Zoete et al.   Journal of Chemical Information and Modeling

“NanoBRIDGES” software: Open access tools to perform QSAR and nano-QSAR modeling

(2015) Pravin Ambure et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Human mastadenovirus type 70: a novel, multiple recombinant species D mastadenovirus isolated from diarrhoeal faeces of a haematopoietic stem cell transplantation recipient

(2015) Elias Hage et al.   JOURNAL OF GENERAL VIROLOGY

4-Hydroxy-trans-2-nonenal (4-HNE) induces neuronal SH-SY5Y cell death via hampering ATP binding at kinase domain of Akt1

(2014) Mahendra P. Kashyap et al.   ARCHIVES OF TOXICOLOGY

A novel variable reduction method adapted from space-filling designs

(2014) Davide Ballabio et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

QSAR and Docking Based Semi-Synthesis and In Vivo Evaluation of Artemisinin Derivatives for Antimalarial Activity

(2014) Dharmendra Yadav et al.   CURRENT DRUG TARGETS

Pharmacophore-Based 3DQSAR and Molecular Docking Studies to Identify New Non-Peptidic Inhibitors of Cathepsin S

(2014) M.B. Battu et al.   CURRENT MEDICINAL CHEMISTRY

SwissTargetPrediction: a web server for target prediction of bioactive small molecules

(2014) David Gfeller et al.   NUCLEIC ACIDS RESEARCH

Discovery and Structure-Based Optimization of Adenain Inhibitors

(2014) Aengus Mac Sweeney et al.   ACS Medicinal Chemistry Letters

Diagnosis and treatment of adenovirus infection in immunocompromised patients

(2013) Susanne Matthes-Martin et al.   Expert Review of Anti-Infective Therapy

3-Methylcholanthrene Induces Neurotoxicity in Developing Neurons Derived from Human CD34+Thy1+ Stem Cells by Activation of Aryl Hydrocarbon Receptor

(2013) Abhishek K. Singh et al.   NEUROMOLECULAR MEDICINE

Molecular characterization of human adenovirus infection in Thailand, 2009--2012

(2013) Punsinee Sriwanna et al.   Virology Journal

Human adenovirus infection in children with acute respiratory tract disease in Guangzhou, China

(2012) Lirong Zou et al.   APMIS

Structure of human adenovirus

(2012) Glen R Nemerow et al.   Current Opinion in Virology

PaDEL-descriptor: An open source software to calculate molecular descriptors and fingerprints

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Clinical features and treatment of adenovirus infections

(2008) Liesbeth Lenaerts et al.   REVIEWS IN MEDICAL VIROLOGY

Analysis of Menger’s ‘spatiotemporal hypothesis’

(2008) Rafik Karaman   TETRAHEDRON LETTERS

QSAR Models for Prediction of Glycogen Synthase Kinase‐3β Inhibitory Activity of Indirubin Derivatives

(2008) Viney Lather et al.   Quantitative structure-activity relationships & combinatorial science