Identification of structural requirements and prediction of inhibitory activity of natural flavonoids against Zika virus through molecular docking and Monte Carlo based QSAR Simulation

Exploring pyrazolo[3,4-d]pyrimidine phosphodiesterase 1 (PDE1) inhibitors: a predictive approach combining comparative validated multiple molecular modelling techniques

(2017) Sk. Abdul Amin et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Hydroxyethylamine derivatives as HIV-1 protease inhibitors: a predictive QSAR modelling study based on Monte Carlo optimization

(2017) S. Bhargava et al.   SAR AND QSAR IN ENVIRONMENTAL RESEARCH

First molecular modeling report on novel arylpyrimidine kynurenine monooxygenase inhibitors through multi-QSAR analysis against Huntington’s disease: A proposal to chemists!

(2016) Sk. Abdul Amin et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Inhibitory effect of flavonoids against NS2B-NS3 protease of ZIKA virus and their structure activity relationship

(2016) Hee-jung Lim et al.   BIOTECHNOLOGY LETTERS

Exploring structural requirements of unconventional Knoevenagel-type indole derivatives as anticancer agents through comparative QSAR modeling approaches

(2016) Sk. Abdul Amin et al.   CANADIAN JOURNAL OF CHEMISTRY

Structural Insight into NS5 of Zika Virus Leading to the Discovery of MTase Inhibitors

(2016) Preyesh Stephen et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Zika Virus in the Americas — Yet Another Arbovirus Threat

(2016) Anthony S. Fauci et al.   NEW ENGLAND JOURNAL OF MEDICINE

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(2016)   Chemical Biology & Drug Design

The flavivirus NS2B–NS3 protease–helicase as a target for antiviral drug development

(2015) Dahai Luo et al.   ANTIVIRAL RESEARCH

Large-scale structure-activity relationship study of hepatitis C virus NS5B polymerase inhibition using SMILES-based descriptors

(2015) Apilak Worachartcheewan et al.   MOLECULAR DIVERSITY

Molecular docking study on platelet-activating factor antagonistic activity of bioactive compounds isolated from Guttiferae andArdisiaspecies

(2014) Malina Jasamai et al.   NATURAL PRODUCT RESEARCH

Dengue in China: not a passing problem

(2014) ChengFeng Qin et al.   Science China-Life Sciences

Comparative QSARs for antimalarial endochins: Importance of descriptor-thinning and noise reduction prior to feature selection

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Further exploring rm2 metrics for validation of QSPR models

(2011) Probir Kumar Ojha et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Role of Nonstructural Protein NS2A in Flavivirus Assembly

(2008) J. Y. Leung et al.   JOURNAL OF VIROLOGY