Development of anti-viral agents using molecular modeling and virtual screening techniques

Infectious Disorders - Drug Targets

Volumn 11, Issue 1, 2011, Pages 64-93

  Kirchmair, Johannes ^a,b   Distinto, Simona ^a,b   Liedl, Klaus Roman ^a   Markt, Patrick ^a   Rollinger, Judith Maria ^a   Schuster, Daniela ^a   Spitzer, Gudrun Maria ^a   Wolber, Gerhard ^a,b  

^a UNIVERSITY OF INNSBRUCK   (Austria)

^b FREIE UNIVERSITÄT BERLIN   (Germany)

Author keywords

Activity profiling; Computational chemistry; Docking; Drugs from natural sources; Fingerprints; HCV NS3 4A serine protease; HCV NS5B RNA dependent RNA polymerase; Hepatitis C virus; Herpes; HIV; HIV integrase; HIV 1 protease; HIV 1 reverse transcriptase; Homology modeling; HRV capsid protein; HRV protease 2A; HRV protease 3C; HSV; Human a glucosidase; Influenza virus; Inverse screening; Lead structure development; M2 channel protein; Molecular dynamics simulation; Molecular interaction fields; Molecular modeling; Natural compounds; Neuraminidase; Parallel screening; Pharmacophore modeling; QSAR; SARS CoV; Similarity based screening; Thymidine kinase; Viral disease; Virtual screening; Virus

Indexed keywords

ALPHA GLUCOSIDASE; ANTIVIRUS AGENT; CAPSID PROTEIN; CILUPREVIR; COAT PROTEIN; DELAVIRDINE; EFAVIRENZ; ETRAVIRINE; HERPES C VIRUS PROTEIN; HUMAN IMMUNODEFICIENCY VIRUS PROTEINASE; INFLUENZA VIRUS NEURAMINIDASE; LIGAND; NEVIRAPINE; NONSTRUCTURAL PROTEIN 3; NONSTRUCTURAL PROTEIN 4A; NONSTRUCTURAL PROTEIN 5B; PROTEIN M2; RALTEGRAVIR; RHINOVIRUS COAT PROTEIN; RNA DIRECTED DNA POLYMERASE; SARS CORONAVIRUS MAIN PROTEINASE; TELAPREVIR; THYMIDINE KINASE; UNCLASSIFIED DRUG; VIRUS PROTEIN; VIRUS SIALIDASE; VIRUS SPIKE PROTEIN;

ANTIVIRAL ACTIVITY; ARTICLE; ARTIFICIAL NEURAL NETWORK; BINDING AFFINITY; DRUG BINDING; DRUG RESEARCH; DRUG SCREENING; DRUG STRUCTURE; FLAVIVIRUS; HERPES VIRUS; HUMAN; HUMAN IMMUNODEFICIENCY VIRUS; HYDROPHOBICITY; INFLUENZA VIRUS; MEDICAL RESEARCH; METABOLIC CAPACITY; MOLECULAR DOCKING; MOLECULAR DYNAMICS; MOLECULAR INTERACTION; MOLECULAR MODEL; NONHUMAN; PICORNAVIRUS; SARS CORONAVIRUS; VIRUS INFECTION;

EID: 79551625508     PISSN: 18715265     EISSN: None     Source Type: Journal    
DOI: 10.2174/187152611794407782     Document Type: Article

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