Predicting binding free energies: frontiers and benchmarks

DL Mobley, MK Gilson - Annual review of biophysics, 2017 - annualreviews.org
Binding free energy calculations based on molecular simulations provide predicted affinities
for biomolecular complexes. These calculations begin with a detailed description of a …

Recent advances in the synthesis of 2H-1, 4-benzoxazin-3-(4H)-ones and 3, 4-dihydro-2H-1, 4-benzoxazines

J Ilaš, PŠ Anderluh, MS Dolenc, D Kikelj - Tetrahedron, 2005 - Elsevier
The 2H-1, 4-benzoxazin-3-(4H)-one (1) and 3, 4-dihydro-2H-1, 4-benzoxazine (2) scaffolds
have been studied intensively as important heterocyclic systems for building natural 1, 2 and …

Sequential one-pot combination of multi-component and multi-catalysis cascade reactions: an emerging technology in organic synthesis

DB Ramachary, S Jain - Organic & biomolecular chemistry, 2011 - pubs.rsc.org
Creating sequential one-pot combinations of multi-component reactions (MCRs) and multi-
catalysis cascade (MCC) reactions is a challenging task that has already emerged as a new …

Progress of thrombus formation and research on the structure-activity relationship for antithrombotic drugs

X Li, T Guo, Q Feng, T Bai, L Wu, Y Liu, X Zheng… - European Journal of …, 2022 - Elsevier
Many populations suffer from thrombotic disorders such as stroke, myocardial infarction,
unstable angina and thromboembolic disease. Thrombus is one of the major threatening …

A general approach to chiral building blocks via direct amino acid-catalyzed cascade three-component reductive alkylations: Formal total synthesis of HIV-1 protease …

DB Ramachary… - The Journal of Organic …, 2010 - ACS Publications
Multicatalysis cascade (MCC) process for the synthesis of highly substituted chiral building
blocks (2-alkyl-CH-acids, 2-alkylcyclohexane-1, 3-diones, 2-alkylcyclopentane-1, 3-diones …

Targeting the platelet integrin GPIIb/IIIa

CE Hagemeyer, K Peter - Current pharmaceutical design, 2010 - ingentaconnect.com
The platelet integrin GPIIb/IIIa plays an essential role in thrombus formation through
interactions with adhesive ligands and has emerged as a primary target for the development …

3,4-Dihydro-2H-1,4-benzoxazine Derivatives Combining Thrombin Inhibitory and Glycoprotein IIb/IIIa Receptor Antagonistic Activity as a Novel Class of …

J Ilaš, Z Jakopin, T Borštnar… - Journal of medicinal …, 2008 - ACS Publications
3, 4-Dihydro-2 H-1, 4-benzoxazine derivatives possessing both thrombin inhibitory and
glycoprotein IIb/IIIa (GPIIb/IIIa) receptor antagonistic activities were obtained by combining …

Polysulfated xanthones: multipathway development of a new generation of dual anticoagulant/antiplatelet agents

M Correia-da-Silva, E Sousa, B Duarte… - Journal of medicinal …, 2011 - ACS Publications
A multipathway strategy was used to evaluate the in vitro and in vivo antithrombotic effects of
a new synthetic family of sulfated small molecules. Polysulfated xanthonosides showed …

Synthesis and herbicidal activity of isoindoline-1, 3-dione substituted benzoxazinone derivatives containing a carboxylic ester group

MZ Huang, FX Luo, HB Mo, YG Ren… - Journal of agricultural …, 2009 - ACS Publications
A carboxylic ester group was introduced to three series of isoindolinedione substituted
benzoxazinone derivatives. Some of these analogues exhibited good herbicidal activities …

Dual anticoagulant/antiplatelet persulfated small molecules

M Correia-da-Silva, E Sousa, B Duarte… - European journal of …, 2011 - Elsevier
A new series of persulfated compounds was synthesized and assayed for in vitro
anticoagulant and antiplatelet activities, which may be useful in the treatment of both venous …