Molecular modeling and anticholinesterasic activity of novel 2-arylaminocyclohexyl N,N-dimethylcarbamates

This work reports a detailed theoretical and experimental study of the novel isomer series cis- and trans-2-arylaminocyclohexyl N,N-dimethylcarbamates as potential inhibitors of cholinesterases. In vitro inhibition assay by Ellman's method with human blood samples showed that the new carbamates are selective to the inhibition of enzyme butyrylcholinesterase (BuChE) with maximum inhibition of 90% and IC50 of 6 and 8 mmol L-1 for the more actives compounds of the series. Molecular modeling studies point to significant differences for the conformations of the compounds in the active sites of enzymes BuChE and acetylcholinesterase (AChE). The results show that the compounds interact more effectively with the active site of enzyme BuChE since the carbamate group is close to the key residues of the catalytic triad.O presente trabalho reporta um estudo teórico e experimental detalhado das séries inéditas de isômeros cis- e trans-N,N-dimetilcarbamatos de cicloexila 2-arilaminossubstituídos como potenciais inibidores de colinesterases. Os testes de inibição in vitro, realizados através do método de Ellman em amostras de sangue humano, mostraram que os novos carbamatos apresentaram boa seletividade frente à inibição da enzima butirilcolinesterase (BuChE), com um máximo de inibição de 90% e IC50 de 6 e 8 mmol L-1 para os compostos mais ativos da série. Os estudos de modelagem molecular apontaram significantes diferenças entre as orientações destes compostos nos sítios ativos das enzimas BuChE e acetilcolinesterase (AChE). Os resultados mostraram que os compostos interagem de forma mais efetiva com o sítio ativo da enzima BuChE, pois o grupo carbamato está próximo aos resíduos chave da tríade catalítica.17981807Fundação de Amparo à Pesquisa do Estado de São Paulo (FAPESP)Conselho Nacional de Desenvolvimento Científico e Tecnológico (CNPq

Cutting-edge R&D activities of CIRTEN in support of the Technology Park annexed to the Italian National Repository of radioactive waste

R&D activities taking place at the institutions belonging to Consorzio Interuniversitario per la Ricerca TEcnologica Nucleare are here presented and discussed. A special focus is on Technology Park annexed to the Italian National Repository of radioactive waste

Notulae to the Italian alien vascular flora: 2

In this contribution, new data concerning the Italian distribution of alien vascular flora are presented. It includes new records, exclusions and confirmations for Italy or for Italian administrative regions for taxa in the genera Ageratum, Aster, Buddleja, Cedrus, Centranthus, Cephalotaxus, Clerodendrum, Cotoneaster, Cyperus, Honorius, Lantana, Ligustrum, Morus, Muscari, Oenothera, Opuntia, Platycladus, Plumbago, Pseudotsuga, Sedum, Sporobolus, Stachys, Ulmus and Yucca. A nomen novum, Stachys talbotii, is proposed as a replacement name for Sideritis purpurea

Notulae to the Italian alien vascular flora: 2

In this contribution, new data concerning the Italian distribution of alien vascular flora are presented. It includes new records, exclusions and confirmations for Italy or for Italian administrative regions for taxa in the genera Ageratum, Aster, Buddleja, Cedrus, Centranthus, Cephalotaxus, Clerodendrum, Cotoneaster, Cyperus, Honorius, Lantana, Ligustrum, Morus, Muscari, Oenothera, Opuntia, Platycladus, Plumbago, Pseudotsuga, Sedum, Sporobolus, Stachys, Ulmus and Yucca. A nomen novum, Stachys talbotii, is proposed as a replacement name for Sideritis purpurea

Notulae to the Italian native vascular flora: 8.

In this contribution, new data concerning the distribution of native vascular flora in Italy are presented. It includes new records, confirmations, exclusions, and status changes to the Italian administrative regions for taxa in the genera Ajuga, Chamaemelum, Clematis, Convolvulus, Cytisus, Deschampsia, Eleocharis, Epipactis, Euphorbia, Groenlandia, Hedera, Hieracium, Hydrocharis, Jacobaea, Juncus, Klasea, Lagurus, Leersia, Linum, Nerium, Onopordum, Persicaria, Phlomis, Polypogon, Potamogeton, Securigera, Sedum, Soleirolia, Stachys, Umbilicus, Valerianella, and Vinca. Nomenclatural and distribution updates, published elsewhere, and corrigenda are provided as Suppl. material 1

Notulae to the Italian native vascular flora: 8

In this contribution, new data concerning the distribution of native vascular flora in Italy are presented. It includes new records, confirmations, exclusions, and status changes to the Italian administrative regions for taxa in the genera Ajuga, Chamaemelum, Clematis, Convolvulus, Cytisus, Deschampsia, Eleocharis, Epi- pactis, Euphorbia, Groenlandia, Hedera, Hieracium, Hydrocharis, Jacobaea, Juncus, Klasea, Lagurus, Leersia, Linum, Nerium, Onopordum, Persicaria, Phlomis, Polypogon, Potamogeton, Securigera, Sedum, Soleirolia, Stachys, Umbilicus, Valerianella, and Vinca. Nomenclatural and distribution updates, published elsewhere, and corrigenda are provided as Suppl. material