{"paper":{"title":"Computational Study of Molecular Mechanisms of Caffeine Actions","license":"http://arxiv.org/licenses/nonexclusive-distrib/1.0/","headline":"","cross_cats":[],"primary_cat":"q-bio.BM","authors_text":"A. Deriabina, A. V. Teplukhin, E. Gonzalez, E. Rodriguez, T. I. Grokhlina, V. I. Poltev","submitted_at":"2015-08-26T16:08:24Z","abstract_excerpt":"Caffeine (CAF) is one of the most widely and regularly consumed biologically active substances. We use computer simulation approach to the study of CAF activity by searching for its possible complexes with biopolymer fragments. The principal CAF target at physiologically important concentrations refers to adenosine receptors. It is a common opinion that CAF is a competitive antagonist of adenosine. At the first step to molecular level elucidation of CAF action, we have found a set of the minima of the interaction energy between CAF and the fragments of human A1 adenosine receptor. Molecular me"},"claims":{"count":0,"items":[],"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"source":{"id":"1508.06549","kind":"arxiv","version":1},"verdict":{"id":null,"model_set":{},"created_at":null,"strongest_claim":"","one_line_summary":"","pipeline_version":null,"weakest_assumption":"","pith_extraction_headline":""},"references":{"count":0,"sample":[],"resolved_work":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57","internal_anchors":0},"formal_canon":{"evidence_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"author_claims":{"count":0,"strong_count":0,"snapshot_sha256":"258153158e38e3291e3d48162225fcdb2d5a3ed65a07baac614ab91432fd4f57"},"builder_version":"pith-number-builder-2026-05-17-v1"}