Three-dimensional quantitative structure− activity relationship (3D-QSAR) models for a novel class of piperazine-based stromelysin-1 (MMP-3) inhibitors: Applying a “ …
EA Amin, WJ Welsh - Journal of medicinal chemistry, 2001 - ACS Publications
Three-dimensional quantitative structure− activity relationship (3D-QSAR) models have
been obtained using comparative molecular field analysis (CoMFA) for a novel series of …
been obtained using comparative molecular field analysis (CoMFA) for a novel series of …
Highly Predictive CoMFA and CoMSIA Models for Two Series of Stromelysin-1 (MMP-3) Inhibitors Elucidate S1 'and S1− S2 'Binding Modes
EA Amin, WJ Welsh - Journal of chemical information and …, 2006 - ACS Publications
Three-dimensional quantitative structure− activity relationship models have been derived
using comparative molecular field analysis (CoMFA) and comparative molecular similarity …
using comparative molecular field analysis (CoMFA) and comparative molecular similarity …
3D‐Quantitative Structure Activity Relationships of Biphenyl Carboxylic Acid MMP‐3 Inhibitors: Exploring Automated Docking as Alignment Method
I Muegge, BL Podlogar - Quantitative Structure‐Activity …, 2001 - Wiley Online Library
A series of CoMFA models have been derived from docking‐based and atom‐based
alignments. The statistics of these approaches has been compared to determine whether a …
alignments. The statistics of these approaches has been compared to determine whether a …
Affinity and selectivity of matrix metalloproteinase inhibitors: a chemometrical study from the perspective of ligands and proteins
H Matter, W Schwab - Journal of medicinal chemistry, 1999 - ACS Publications
A novel strategy to understand affinity and selectivity for enzyme inhibitors using information
from ligands and target protein 3D structures is described. It was applied to 2-arylsulfonyl-1 …
from ligands and target protein 3D structures is described. It was applied to 2-arylsulfonyl-1 …
A ligand-based molecular modeling study on some matrix metalloproteinase-1 inhibitors using several 3D QSAR techniques
KC Tsai, TH Lin - Journal of chemical information and computer …, 2004 - ACS Publications
Some three-dimensional quantitative structure− activity relationship (3D-QSAR) models
have been constructed using the comparative molecular field analysis (CoMFA) and …
have been constructed using the comparative molecular field analysis (CoMFA) and …
Exploring QSAR and pharmacophore mapping of structurally diverse selective matrix metalloproteinase-2 inhibitors
Abstract Objectives and Methods Matrix metalloproteinase-2 (MMP-2) is a potential target in
metastases. Regression (conventional 2D QSAR) and classification (recursive partitioning …
metastases. Regression (conventional 2D QSAR) and classification (recursive partitioning …
Structural exploration for the refinement of anticancer matrix metalloproteinase-2 inhibitor designing approaches through robust validated multi-QSARs
Abstract Matrix metalloproteinase-2 (MMP-2) is a promising pharmacological target for
designing potential anticancer drugs. MMP-2 plays critical functions in apoptosis by cleaving …
designing potential anticancer drugs. MMP-2 plays critical functions in apoptosis by cleaving …
Prediction of an MMP-1 inhibitor activity cliff using the SAR matrix approach and its experimental validation
Y Asawa, A Yoshimori, J Bajorath, H Nakamura - Scientific Reports, 2020 - nature.com
Abstract A matrix metalloproteinase 1 (MMP-1) inhibitor activity cliff was predicted using the
SAR Matrix method. Compound 4 was predicted as a highly potent activity cliff partner and …
SAR Matrix method. Compound 4 was predicted as a highly potent activity cliff partner and …
Quantitative structure− activity relationship of human neutrophil collagenase (MMP-8) inhibitors using comparative molecular field analysis and X-ray structure …
H Matter, W Schwab, D Barbier, G Billen… - Journal of medicinal …, 1999 - ACS Publications
A set of 90 novel 2-(arylsulfonyl)-1, 2, 3, 4-tetrahydroisoquinoline-3-carboxylates and-
hydroxamates as inhibitors of the matrix metalloproteinase human neutrophil collagenase …
hydroxamates as inhibitors of the matrix metalloproteinase human neutrophil collagenase …
Structure–activity relationships by mass spectrometry: identification of novel MMP-3 inhibitors
DA Ockey, JL Dotson, ME Struble, JT Stults… - Bioorganic & medicinal …, 2004 - Elsevier
A novel class of nonpeptide inhibitors of stromelysin (MMP-3) has been discovered with the
use of mass spectrometry. The method relies on the development of structure–activity …
use of mass spectrometry. The method relies on the development of structure–activity …