A Computer-Driven Approach to Discover Natural Product Leads for Methicillin-Resistant Staphylococcus aureus Infection Therapy

In vitro Antibacterial and Antifungal Activity and Computational Evaluation of Novel Indole Derivatives Containing 4-Substituted Piperazine Moieties

(2018) Tunca Gul Altuntas et al.   Letters in Drug Design & Discovery

Computational Methodologies in the Exploration of Marine Natural Product Leads

(2018) Florbela Pereira et al.   Marine Drugs

Molecular topology: A new strategy for antimicrobial resistance control

(2017) Riccardo Zanni et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Topological pattern for the search of new active drugs against methicillin resistant Staphylococcus aureus

(2017) Jose I. Bueso-Bordils et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Current Status and Future Prospects of Marine Natural Products (MNPs) as Antimicrobials

(2017) Alka Choudhary et al.   Marine Drugs

Antimicrobial activity and molecular docking studies of a novel anthraquinone from a marine-derived fungus Aspergillus versicolor

(2017) Weiyi Wang et al.   NATURAL PRODUCT RESEARCH

Innovation in the pharmaceutical industry: New estimates of R&D costs

(2016) Joseph A. DiMasi et al.   JOURNAL OF HEALTH ECONOMICS

Hybrid Network Model for “Deep Learning” of Chemical Data: Application to Antimicrobial Peptides

(2016) Petra Schneider et al.   Molecular Informatics

The ChEMBL database in 2017

(2016) Anna Gaulton et al.   NUCLEIC ACIDS RESEARCH

Drugs and Drug Candidates from Marine Sources: An Assessment of the Current “State of Play”

(2016) David Newman et al.   PLANTA MEDICA

Are the physicochemical properties of antibacterial compounds really different from other drugs?

(2016) Jean-Paul Ebejer et al.   Journal of Cheminformatics

The Madeira Archipelago As a Significant Source of Marine-Derived Actinomycete Diversity with Anticancer and Antimicrobial Potential

(2016) Alejandra Prieto-Davó et al.   Frontiers in Microbiology

Antibiotic drug discovery

(2016) Wolfgang Wohlleben et al.   Microbial Biotechnology

Antibacterial products of marine organisms

(2015) Tzi Bun Ng et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

ZINC 15 – Ligand Discovery for Everyone

(2015) Teague Sterling et al.   Journal of Chemical Information and Modeling

Marine Peptides and Their Anti-Infective Activities

(2015) Hee Kang et al.   Marine Drugs

StreptomeDB 2.0—an extended resource of natural products produced by streptomycetes

(2015) Dennis Klementz et al.   NUCLEIC ACIDS RESEARCH

PubChem Substance and Compound databases

(2015) Sunghwan Kim et al.   NUCLEIC ACIDS RESEARCH

Marine actinobacteria associated with marine organisms and their potentials in producing pharmaceutical natural products

(2014) Karuppiah Valliappan et al.   APPLIED MICROBIOLOGY AND BIOTECHNOLOGY

A QSPR approach for the fast estimation of DFT/NBO partial atomic charges

(2014) Qingyou Zhang et al.   CHEMOMETRICS AND INTELLIGENT LABORATORY SYSTEMS

Discovering New Agents Active against Methicillin-Resistant Staphylococcus aureus with Ligand-Based Approaches

(2014) Ling Wang et al.   Journal of Chemical Information and Modeling

Spiromastixones A–O, Antibacterial Chlorodepsidones from a Deep-Sea-Derived Spiromastix sp. Fungus

(2014) Siwen Niu et al.   JOURNAL OF NATURAL PRODUCTS

A Chemoinformatics Approach to the Discovery of Lead-Like Molecules from Marine and Microbial Sources En Route to Antitumor and Antibiotic Drugs

(2014) Florbela Pereira et al.   Marine Drugs

Design, synthesis, and biological evaluation of indolylidinepyrazolones as potential anti-bacterial agents

(2014) A. Indrasena et al.   TETRAHEDRON LETTERS

Advances in MRSA drug discovery: where are we and where do we need to be?

(2013) Michio Kurosu et al.   Expert Opinion on Drug Discovery

New drugs for methicillin-resistant Staphylococcus aureus: an update

(2013) K. Kumar et al.   JOURNAL OF ANTIMICROBIAL CHEMOTHERAPY

Synthesis, Antimycobacterial, Antiviral, Antimicrobial Activity and QSAR Studies of N2-acyl isonicotinic Acid Hydrazide Derivatives

(2012) Vikramjeet Judge et al.   Medicinal Chemistry

LIBSVM

(2012) Chih-Chung Chang et al.   ACM Transactions on Intelligent Systems and Technology

Pharmacological Properties of the Marine Natural Product Marinopyrrole A against Methicillin-Resistant Staphylococcus aureus

(2011) Nina M. Haste et al.   ANTIMICROBIAL AGENTS AND CHEMOTHERAPY

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

(2010) Chun Wei Yap   JOURNAL OF COMPUTATIONAL CHEMISTRY

Topological Polar Surface Area Defines Substrate Transport by Multidrug Resistance Associated Protein 1 (MRP1/ABCC1)

(2009) Janaina Fernandes et al.   JOURNAL OF MEDICINAL CHEMISTRY

Identification of Novel Antibacterial Peptides by Chemoinformatics and Machine Learning†

(2009) Christopher D. Fjell et al.   JOURNAL OF MEDICINAL CHEMISTRY

Generation of a Set of Simple, Interpretable ADMET Rules of Thumb

(2008) M. Paul Gleeson   JOURNAL OF MEDICINAL CHEMISTRY