Several nonpeptide small molecules were designed as potential inhibitors of HIV protease and their structures were constructed by computer-aided molecular modeling and docked iwo the active site of HIV protease. Models of the complexes of inhibitors and the HIV protease were refined using nonbonded and H-bonding terms. The refined energy of selected complexes showed that the designed inhib...

aminocarboxylic acids, such as 2-aminobenzoic acid, react easily with [ir(cod)(pme3)3]cl, (cod=1,5-cyclooctadiene), in thf to produce hydridoaminocarboxylato iridium(iii) complexes in high yields. these octahedral complexes are formed via oxidative addition reaction of the o-h bond of the carboxylic group with the central metal. the starting iridium(i) complex losses the cod molecule, the chlor...

We report the synthesis and magnetic characterisation of a series of planar [M₇] (M= Ni(II), Zn(II)) disc complexes [Ni₇(OH)₆(L₁)₆](NO₃)₂ (1), [Ni₇(OH)₆(L₁)₆](NO₃)₂·2MeOH (2), [Ni₇(OH)₆(L₁)₆](NO₃)₂·3MeNO₂ (3), [Ni₇(OH)₆(L₂)₆](NO₃)₂·2MeCN (4), [Zn₇(OH)₆(L₁)₆](NO₃)₂·2MeOH·H₂O (5) and [Zn₇(OH)₆(L₁)₆](NO₃)₂·3MeNO₂ (6) (where HL₁ = 2-iminomethyl-6-methoxy-phenol, HL₂ = 2-iminomethyl-4-bromo-6-methox...

The asymmetric unit of the title compound, [Ni(NCS)2(C5H4ClN)2(H2O)2], consists of one nickel(II) cation that is located on a center of inversion and one thio-cyanate anion, one water mol-ecule and one 2-chloro-pyridine ligand all occupying general positions. The NiII cation is octa-hedrally coordinated by two terminal N-bound thio-cyanato ligands, two aqua ligands and two N-bound 2-chloro-pyri...

We construct a locally geometric ∞-stack MHod(X,Perf) of perfect complexes with λ-connection structure on a smooth projective variety X. This maps to A1/Gm, so it can be considered as the Hodge filtration of its fiber over 1 which is MDR(X,Perf), parametrizing complexes of DX-modules which are OX -perfect. We apply the result of Toen-Vaquié that Perf(X) is locally geometric. The proof of geomet...

We consider an atomistic interaction potential in one dimension given through a minimization problem, which gives rise to a field. The forces on atoms are in this case given by local expressions involving this field. A convenient feature of this model is the existence of a weak formulation for the forces, which provides a natural connection point for the coupling with a continuum model. We sugg...

Agonist MHC-peptide complexes in the immunological synapse (IS) signal through T cell receptor (TCR) microclusters (MCs) that converge into a central supramolecular activation cluster (cSMAC). The determinants and function of the cSMAC remain unknown. We demonstrate an essential role for ubiquitin (Ub) and TSG101, but less so for HRS, in signal processing events at the cSMAC. Using siRNA in pri...

Copper(II) complexes of benzimidazole are known to exhibit biological activity that makes them of inter-est for chemotherapeutic and other pharmaceutical uses. The complex bis-(acetato-κO){5,6-dimethyl-2-(pyridin-2-yl)-1-[(pyridin-2-yl)meth-yl]-1H-benzimidazole-κ2N2,N3}copper(II), has been prepared. The absorption spectrum has features attributed to intra-ligand and ligand-field transitions and...