Inhibition of TLR2 signaling by small molecule inhibitors targeting a pocket within the TLR2 TIR domain

Proceedings of the National Academy of Sciences of the United States of America

Volumn 112, Issue 17, 2015, Pages 5455-5460

  Mistry, Pragnesh ^a   Laird, Michelle H W ^a   Schwarz, Ryan S ^a   Greene, Shannon ^b   Dyson, Tristan ^a   Snyder, Greg A ^a   Xiao, Tsan Sam ^c   Chauhan, Jay ^b   Fletcher, Steven ^b   Toshchakov, Vladimir Y ^a   MacKerell, Alexander D ^b   Vogel, Stefanie N ^a  

^a UNIVERSITY OF MARYLAND SCHOOL OF MEDICINE   (United States)

^b UNIVERSITY OF MARYLAND SCHOOL OF PHARMACY   (United States)

^c CASE WESTERN RESERVE UNIVERSITY SCHOOL OF MEDICINE   (United States)

Author keywords

BB loop; CADD; Small molecule inhibitor; TLR2 pocket

Indexed keywords

INTERLEUKIN 8; MESSENGER RNA; PROTEIN INHIBITOR; RECEPTOR; TOLL INTERLEUKIN 1 RECEPTOR RESISTANCE; TOLL LIKE RECEPTOR 1; TOLL LIKE RECEPTOR 2; TOLL LIKE RECEPTOR 6; TUMOR NECROSIS FACTOR ALPHA; UNCLASSIFIED DRUG; VANILLIN DERIVATIVE; ANTIINFLAMMATORY AGENT; ANTIOXIDANT; BENZALDEHYDE DERIVATIVE; IL8 PROTEIN, HUMAN; TLR2 PROTEIN, HUMAN; TLR2 PROTEIN, MOUSE; TLR6 PROTEIN, HUMAN; TLR6 PROTEIN, MOUSE; VANILLIN;

ANIMAL CELL; ANIMAL EXPERIMENT; ANIMAL MODEL; ARTICLE; COMPUTER AIDED DESIGN; COMPUTER MODEL; CONTROLLED STUDY; DRUG BINDING; DRUG IDENTIFICATION; DRUG INHIBITION; DRUG POTENCY; DRUG SCREENING; FEMALE; FOOD AND DRUG ADMINISTRATION; GENETIC TRANSFECTION; HUMAN; HUMAN CELL; INFLAMMATION; MACROPHAGE; MOUSE; MUTAGENESIS; NONHUMAN; PRIORITY JOURNAL; PROTEIN DOMAIN; PROTEIN TARGETING; SIGNAL TRANSDUCTION; ANIMAL; ANTAGONISTS AND INHIBITORS; CHEMICALLY INDUCED; CHEMISTRY; DRUG DESIGN; DRUG EFFECTS; GENETICS; HEK293 CELL LINE; IMMUNOLOGY; PROTEIN TERTIARY STRUCTURE;

BACTERIA (MICROORGANISMS); MURINAE; MUS;

ANIMALS; ANTI-INFLAMMATORY AGENTS; ANTIOXIDANTS; BENZALDEHYDES; DRUG DESIGN; DRUG EVALUATION, PRECLINICAL; HEK293 CELLS; HUMANS; INFLAMMATION; INTERLEUKIN-8; MICE; PROTEIN STRUCTURE, TERTIARY; RNA, MESSENGER; SIGNAL TRANSDUCTION; TOLL-LIKE RECEPTOR 1; TOLL-LIKE RECEPTOR 2; TOLL-LIKE RECEPTOR 6;

EID: 84928672154     PISSN: 00278424     EISSN: 10916490     Source Type: Journal    
DOI: 10.1073/pnas.1422576112     Document Type: Article

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