|DOCKING STUDIES OF A NEW HETEROCYCLIC METHYLTHIOMORPHOLIN PHENOLS DERIVATIVES AS ANTIHYPERTENSIVE DRUGS WITH ACE TARGET.CASE FESCDIPINE II |
1V. Vázquez,1O. Vázquez, 1,2M.A.Balboa, 1A. Ma. Velázquez, 1V.H. Abrego, 1B.Camacho, 1L. Martínez, 1L.A. Torres, 1A. Ramírez, 1I.Martínez, 3R.López-Castañares, 1S.Díaz-Barriga, 4J. Bocanegra, 4Froylan Gómez-Laguna, 1F. Olvera, 1E.Angeles.
As part of the Drug Design in Medicinal Chemistry Program of the UNAM, new methylthiomorpholinphenol compounds with cardiovascular effect, were studied. One of them, FESCDIPINE II, was an excellent antihypertensive drug, that has low toxicity and preliminary studies indicate that the Angiotensin-converting enzyme (ACE) system is the biological target of this compound.
|3D-QSAR Common Feature Pharmacophore Model for Polyphenols as Potential Anti-Malarial Agents|
Shruti Saxena, Amit K. Gupta & Mridula Saxena
3D QSAR studies have been carried out on a series of polyphenols for their antimalarial activity using CATALYST program. Hypothesis with three features namely hydrophobic (1), hydrogen bond donor (1) and hydrogen bond acceptor (1) was found to the best, which mapped well with the most active and least active compound of the test set. This model can be used to develop drugs for malarial chemotherapy.
|SOME BIOLOGICAL PROPERTIES OF TRITERPENOID ACIDS|
S.N. Morozkina, O.I. Antimonova, E.M. Eremenko*, A.G. Shavva
Ursolic and betulinic acids acids induce the processes of apoptosis. We tested the risk of osteoporosis induction under influence of triterpenoids, since they can interact with glucocorticoid receptors. In experiments on oviriectomized rats we found that acids do not show any negative influence on percentage of mineral components in the femur and have cholesterol-lowering action under experimental conditions.
|THE OSTEOPROTECTIVE ACTION OF 6-OXA-8a-ANALOGUES OF STEROID ESTROGENS|
A.G. Shavva, V.N. Belov, A.Yu. Solovyev, S.N. Morozkina
We synthesized fourteen 6-oxa-8a-estrogens analogues and investigated osteoprotective and uterotropic actions. We demonstrated correlation: every modification in structure of 6-oxa-8-analogues leading to strong (>30%) reduction of uterotropic action induces slump of osteoprotective activity. This allows to make conclusion: main biotarget, responsible for appearance of osteoprotective action is a-estrogen receptor. We found steroid estrogen analogues with cholesterol-lowering properties without u
|Scalability of heterogeneous MW-heated processes|
Mark H.C.L. Dressen, Bastiaan H. P. van de Kruijs, Jan Meuldijk, Jef A. J. M. Vekemans, Lumbertus A. Hulshof
The combination of flow chemistry and microwave heating offers a unique opportunity to scale out heterogeneous microwave-assisted organic reactions. The feasibility of this setup is depending on the presence of a microwave effect, safety issues and energy efficiency.
|A Modular Solution for Storage of Biological Samples|
Joby Jenkins, Wayne Bowen, Ben Schenker, Chloe Milburn
The physical and chemical composition of biological samples is more diverse than the libraries of medicinal compounds used for drug discovery research. Types of samples include proteins, nucleic acids, blood and serum samples, cell suspensions, tissue biopsies, and antibodies. Thus any storage system must be flexible to accommodate the differing storage requirements of each sample type base upon its biochemical composition, stability and where appropriate, solvent.
|Low Volume Liquid Handling of Organic Solvents for Compound Storage and Dissolution using mosquito|
Gillian Lewis, Tristan Cope, Joby Jenkins, David Gledhill & Rob Lewis
mosquito® is a positive displacement liquid handling system capable of pipetting solutions with a high degree of accuracy (to within 5%) and precision (CVs of <10%) in the nanolitre range. Here, we demonstrate mosquito’s ability to dispense accurately low volumes of organic solvents of low surface tension and to re-dissolve compounds which have been previously dried in storage wells.
|Palladium-Catalyzed Three-Component Synthesis of Phenothiazines|
Troels Dahl, Christian Wenzel Tornøe, Benny Bang-Andersen, Poul Nielsen and Morten Jørgensen
The formation of aromatic carbon-heteroatom bonds has traditionally been achieved by nucleophilic aromatic substitution or via the copper-mediated Ullman reaction. The palladium-catalyzed formation of aromatic C-N bonds extensively developed by Hartwig and Buchwald has provided a powerful alternative. While the aryl amination reaction is applicable even to aryl chlorides and activated phenols, the analogous C-O and C-S bond forming reactions have attracted less attention.
|Combinatorial synthesis of oxazolidin-2-ones using Fmoc-Ser(Trt)-OH, a library with high degree of diversity|
Marek Korinek, Vaclav Stastny and Miroslav Havranek
A library of oxazolidin-2-ones was prepared by solid phase synthesis. Crutial reaction steps were optimized. Highly divers building blocks were selected for the synthesis. All compounds were purified using preparative LC/MS with mass directed fraction collection.