Understanding the binding of inhibitors of matrix metalloproteinases by molecular docking, quantum mechanical calculations, molecular dynamics simulations, and a MMGBSA/MMBappl study

Discovery of potent inhibitor for matrix metalloproteinase-9 by pharmacophore based modeling and dynamics simulation studies

(2014) Sukesh Kalva et al.   JOURNAL OF MOLECULAR GRAPHICS & MODELLING

Genomes to Hits In Silico - A Country Path Today, A Highway Tomorrow: A Case Study of Chikungunya

(2013) Anjali Soni et al.   CURRENT PHARMACEUTICAL DESIGN

A rapid identification of hit molecules for target proteins via physico-chemical descriptors

(2013) Goutam Mukherjee et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Sanjeevini: a freely accessible web-server for target directed lead molecule discovery

(2012) B Jayaram et al.   BMC BIOINFORMATICS

The role of MMP-1 in breast cancer growth and metastasis to the brain in a xenograft model

(2012) Hui Liu et al.   BMC CANCER

MM/GBSA Binding Energy Prediction on the PDBbind Data Set: Successes, Failures, and Directions for Further Improvement

(2012) Paulette A. Greenidge et al.   Journal of Chemical Information and Modeling

Low dose of propranolol down-modulates bone resorption by inhibiting inflammation and osteoclast differentiation

(2011) WF Rodrigues et al.   BRITISH JOURNAL OF PHARMACOLOGY

Correlation of MMP-3 and MMP-9 with Crohn’s Disease Activity in Children

(2011) Anna Kofla-Dlubacz et al.   DIGESTIVE DISEASES AND SCIENCES

AADS- An Automated Active Site Identification, Docking, and Scoring Protocol for Protein Targets Based on Physicochemical Descriptors

(2011) Tanya Singh et al.   Journal of Chemical Information and Modeling

MMP-1 drives immunopathology in human tuberculosis and transgenic mice

(2011) Paul Elkington et al.   JOURNAL OF CLINICAL INVESTIGATION

Insights into the Complex Formed by Matrix Metalloproteinase-2 and Alloxan Inhibitors: Molecular Dynamics Simulations and Free Energy Calculations

(2011) Ilenia Giangreco et al.   PLoS One

Trichloroethanol up-regulates matrix metalloproteinase-9 and tissue inhibitor of metalloproteinase-1 in HaCaT cells

(2011) Haijun Yang et al.   TOXICOLOGY IN VITRO

Matrix Metalloproteinases: Regulators of the Tumor Microenvironment

(2010) Kai Kessenbrock et al.   CELL

MM-PBSA Captures Key Role of Intercalating Water Molecules at a Protein−Protein Interface

(2009) Sergio Wong et al.   Journal of Chemical Theory and Computation

Metal-Binding Affinity and Selectivity of Nonstandard Natural Amino Acid Residues from DFT/CDM Calculations

(2009) Todor Dudev et al.   JOURNAL OF PHYSICAL CHEMISTRY B

A systematic molecular dynamics study of nearest-neighbor effects on base pair and base pair step conformations and fluctuations in B-DNA

(2009) Richard Lavery et al.   NUCLEIC ACIDS RESEARCH

In silico study of MMP inhibition

(2009) Matthieu Rouffet et al.   ORGANIC & BIOMOLECULAR CHEMISTRY

Progress in the Development of Matrix Metalloproteinase Inhibitors

(2008) GuoGang Tu et al.   CURRENT MEDICINAL CHEMISTRY

Moderate and severe traumatic brain injury induce early overexpression of systemic and brain gelatinases

(2008) Anna Vilalta et al.   INTENSIVE CARE MEDICINE

Tissue Inhibitor of Metalloproteinases Protect Blood—Brain Barrier Disruption in Focal Cerebral Ischemia

(2008) Motoaki Fujimoto et al.   JOURNAL OF CEREBRAL BLOOD FLOW AND METABOLISM

An improved relaxed complex scheme for receptor flexibility in computer-aided drug design

(2008) Rommie E. Amaro et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Distinct roles of matrix metalloproteases in the early- and late-phase development of neuropathic pain

(2008) Yasuhiko Kawasaki et al.   NATURE MEDICINE

Brain regional and cellular localization of gelatinase activity in rat that have undergone transient middle cerebral artery occlusion

(2008) D. Amantea et al.   NEUROSCIENCE

Comparison of blood–nerve barrier disruption and matrix metalloprotease-9 expression in injured central and peripheral nerves in mice

(2008) Li-Yun Liu et al.   NEUROSCIENCE LETTERS

Inhibition of Cancer Cell Invasion by Cannabinoids via Increased Expression of Tissue Inhibitor of Matrix Metalloproteinases-1

(2007) Robert Ramer et al.   JNCI-Journal of the National Cancer Institute