849773-63-3Relevant academic research and scientific papers
Amber force field implementation, molecular modelling study, synthesis and MMP-1/MMP-2 inhibition profile of (R)- and (S)-N-hydroxy-2-(N-isopropoxybiphenyl-4-ylsulfonamido)-3-methylbutanamides
Tuccinardi, Tiziano,Martinelli, Adriano,Nuti, Elisa,Carelli, Paolo,Balzano, Federica,Uccello-Barretta, Gloria,Murphy, Gillian,Rossello, Armando
, p. 4260 - 4276 (2007/10/03)
Ab initio calculations (B3LYP/Lanl2DZ level of theory) were performed in this study to determine all the structural and catalytic zinc parameters required in order to study MMPs and their complexes with hydroxamate inhibitors by means of the AMBER force f
N-i-Propoxy-N-biphenylsulfonylaminobutylhydroxamic acids as potent and selective inhibitors of MMP-2 and MT1-MMP
Rossello, Armando,Nuti, Elisa,Carelli, Paolo,Orlandini, Elisabetta,Macchia, Marco,Nencetti, Susanna,Zandomeneghi, Maurizio,Balzano, Federica,Barretta, Gloria Uccello,Albini, Adriana,Benelli, Roberto,Cercignani, Giovanni,Murphy, Gillian,Balsamo, Aldo
, p. 1321 - 1326 (2007/10/03)
Structural manipulation of the pharmacophoric model of type A selective MMP inhibitors (MMPi), obtained by the insertion of some alkyl substituents R 2 possessing an appropriate geometry, steric bulkiness and lipophilicity, is able to improve p
