Showing papers by "Pierre Renard published in 2000"
TL;DR: The applied method combines three features of upmost importance for the further design of ligands endowed with high I(2) affinity: structural diversity, robustness, and a great fully assessed predictive ability.
Abstract: Displaying an unprecedented structural diversity, 119 I2 ligands, and their pKi values, were collected and submitted to a comparative molecular fields analysis (CoMFA) study. They were discerned into three structural subsets (A, B, C), to explore the I2 3D-QSARs from finite structural systems (A, B, C) to more complex ones (AB, AC, BC, ABC). In addition, various key steps of the CoMFA methology were explored. The applied method used two pharmacophore templates and seven molecular field combinations (electrostatic, lipophilic, steric), as well as eight alignment methods (two point-by-point and six similarity-based variations). That way, 644 CoMFA models were obtained and further selected according to their predictive ability through two filters. The first filter was mainly based on the q2, which internally evaluates the predictive ability from the training set. For the second filter, the predictive ability was externally evaluated through the prediction of test sets. Finally, one model was extracted from t...
42 citations
TL;DR: In this paper, the Bischler-Napieralski cyclization of suitably substituted N-acyl-2-arylmethylpyrrolidine and -piperidine derivatives was used to synthesize alpha-and beta-peltatin analogues.
16 citations
TL;DR: A new series of substituted oxygenated heterocycles and thio-analogues were synthesized and evaluated as melatonin receptor ligands, showing a weak affinity for melatonin receptors, except for the compounds 1cb and 1hb.
14 citations
TL;DR: The results obtained show the relative importance of the length of the side-chain and of the nature of the skeleton in both the binding to and the activity on the melatonin receptor of the retroamide series.
Abstract: To discover analogues of melatonin with a longer half-life, novel non-indole analogues of the compound, in which the amide group of the side-chain has been reversed, have been prepared and evaluated in binding assays to determine their activity on melatonin receptors.
The two most active compounds were those with the N-methylbutyramide side-chain. Butyramide and pentanoylamide side-chains resulted in similar affinities, irrespective of the skeleton tested whereas a propionamide side-chain led to loss of affinity. The biological actity of the molecules was more influenced by the length of the side-chain than by the nature of the skeleton, which had little effect.
The results obtained show the relative importance of the length of the side-chain and of the nature of the skeleton in both the binding to and the activity on the melatonin receptor of the retroamide series.
8 citations
TL;DR: A series of new 3-amino, 3-aminomethyl-5-alkoxy-3,4-dihydro-2H-1-benzopyran and 5'-alk Oxy-3',4'-dihYDrospiro-[piperazine-2.3'(2'H)-benzipyran] derivatives was prepared and evaluated for affinity at 5-HT1A,5-HT2A and D2 receptors
3 citations