Organic Letters · 2014 · 97 citations · 30 references
PharmacyChemistryMedicinal ChemistryDrug DiscoveryOrganic ChemistryStructure-activity RelationshipsBioinorganic ChemistryEnzyme InhibitionHeterocyclic ChemistryNatural Product Drug DiscoveryAbsolute Configuration AssignmentAbsolute Configuration DeterminationActive Compound IsolationSelectivity
Hyperisampsins A-D (1-4), with tetracyclo[6.3.1.1(3,10).0(3,7)]tridecane skeletons and seven biogenetically related congeners (5-11), were isolated from Hypericum sampsonii. Their structures were elucidated by comprehensive spectroscopic techniques. The absolute configuration of 1 was established by ECD calculations, and those of 5 and 9 were confirmed by single X-ray crystallographic analyses. Hyperisampsins A and D showed potent anti-HIV activities with EC50 of 2.97 and 0.97 μM and selectivity index of 4.80 and 7.70, respectively.
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Fast solvent screening via quantum chemistry: COSMO‐RS approach
Frank Eckert, Andreas Klamt · AIChE Journal · 2002 · 1.8K citations · Full text
Natural Sciences, Chemistry, Physics +17
N. S. Bystrov, B. K. CHERNOV, V. N. Dobrynin et al. · Tetrahedron Letters · 1975 · 146 citations