Concepedia

Metronidazole aryloxy, carboxy and azole derivatives: Synthesis, anti-tumor activity, QSAR, molecular docking and dynamics studies

Ehsan Faghih‐Mirzaei, Salehe Sabouri, Leila Zeidabadinejad, Salman AbdolahRamazani, Mehdi Abaszadeh, Arash Khodadadi, Mohadeseh Shamsadinipour, Mandana Jafari, Somayeh Pirhadi

Bioorganic & Medicinal Chemistry · 2018 · 12 citations · 21 references

Concepts

PharmacyMedicinal ChemistryPharmacologyDrug DesignDrug DiscoveryStructure-activity RelationshipsChemical Space ExplorationLead Compound DesignLigand BindingLigand-based DesignMolecular DockingStructure-activity Relationship AnalysisAzone AnaloguesChemical Synthesis Of AnaloguesDocking-based Drug DesignMedicinal Chemistry ApplicationsMolecular Docking AnalysisMolecular Docking Optimization

References

21

AutoDock4 and AutoDockTools4: Automated docking with selective receptor flexibility

Garrett M. Morris, Ruth Huey, William Lindstrom et al. · Journal of Computational Chemistry · 2009 · 25K citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +13

Open Babel: An open chemical toolbox

Noel M. O’Boyle, Michael Banck, Craig A. James et al. · Journal of Cheminformatics · 2011 · 11.1K citations · Full text

Natural Sciences, Chemistry, Computational Chemistry +9

Computer Aided Design of Experiments

R. W. Kennard, L. A. Stone · Technometrics · 1969 · 3.4K citations

Public Health, Design, Computer-aided Design +11

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

Chun Wei Yap · Journal of Computational Chemistry · 2010 · 3K citations · Full text

Pharmacy, Chemistry, Computational Chemistry +15

A History of Cancer Chemotherapy

Vincent T. DeVita, Edward Chu · Cancer Research · 2008 · 1.9K citations · Full text

Medicine, Oncology, Pharmacology +12