Computational modeling of novel inhibitory peptides targeting proteoglycan like region of carbonic anhydrase IX and in vitro validation in HeLa cells

Gain of native conformation of Aurora A S155R mutant by small molecules

(2019) Garima Tanwar et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Demystifying the pH dependent conformational changes of human heparanase pertaining to structure–function relationships: an in silico approach

(2018) Hemavathy Nagarajan et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Identification of potential drugs targeting L,L‐diaminopimelate aminotransferase of Chlamydia trachomatis : An integrative pharmacoinformatics approach

(2018) Anupriya Sadhasivam et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Deciphering ophthalmic adaptive inhibitors targeting RON4 of Toxoplasma gondii: An integrative in silico approach

(2018) Umashankar Vetrivel et al.   LIFE SCIENCES

Pathological role of a point mutation (T315I) in BCR-ABL1 protein-A computational insight

(2017) Vidya Rajendran et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Design of inhibitory peptide targeting Toxoplasma gondii RON4-human β-tubulin interactions by implementing structural bioinformatics methods

(2017) Umashankar Vetrivel et al.   JOURNAL OF CELLULAR BIOCHEMISTRY

Structure and function of carbonic anhydrases

(2016) C. T. Supuran   BIOCHEMICAL JOURNAL

Biophysical aspect of phosphatidylinositol 3-kinase and role of oncogenic mutants (E542K & E545K)

(2016) Namrata Kalsi et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Virtual screening, molecular dynamics, and binding free energy calculations on human carbonic anhydrase IX catalytic domain for deciphering potential leads

(2016) Arun John et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Peptiderive server: derive peptide inhibitors from protein–protein interactions

(2016) Yuval Sedan et al.   NUCLEIC ACIDS RESEARCH

Impact of point mutation P29S in RAC1 on tumorigenesis

(2016) Vidya Rajendran et al.   TUMOR BIOLOGY

PEPstrMOD: structure prediction of peptides containing natural, non-natural and modified residues

(2015) Sandeep Singh et al.   Biology Direct

Recent Developments in Targeting Carbonic Anhydrase IX for Cancer Therapeutics

(2015) Paul C. McDonald et al.   Oncotarget

The Potential of Liposomes with Carbonic Anhydrase IX to Deliver Anticancer Ingredients to Cancer Cells in Vivo

(2014) Huei Ng et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

Mutational analysis of FUS gene and its structural and functional role in amyotrophic lateral sclerosis 6

(2014) Balu Kamaraj et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

In silico approaches for designing highly effective cell penetrating peptides

(2013) Ankur Gautam et al.   Journal of Translational Medicine

Serverification of Molecular Modeling Applications: The Rosetta Online Server That Includes Everyone (ROSIE)

(2013) Sergey Lyskov et al.   PLoS One

Biochemical properties of a novel and highly thermostable bacterial α-carbonic anhydrase fromSulfurihydrogenibium yellowstonense YO3AOP1

(2012) Clemente Capasso et al.   JOURNAL OF ENZYME INHIBITION AND MEDICINAL CHEMISTRY

Carbonic anhydrase IX (CA9) modulates tumor-associated cell migration and invasion

(2011) H.-J. Shin et al.   JOURNAL OF CELL SCIENCE

Interfering with pH regulation in tumours as a therapeutic strategy

(2011) Dario Neri et al.   NATURE REVIEWS DRUG DISCOVERY

A New Peptide Ligand for Targeting Human Carbonic Anhydrase IX, Identified through the Phage Display Technology

(2011) Vasileios Askoxylakis et al.   PLoS One

Prediction of protein secondary structure from circular dichroism using theoretically derived spectra

(2011) Caroline Louis-Jeune et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Specific inhibition of carbonic anhydrase IX activity enhances the in vivo therapeutic effect of tumor irradiation

(2011) Ludwig Dubois et al.   RADIOTHERAPY AND ONCOLOGY

Probing theα-Helical Structural Stability of Stapled p53 Peptides: Molecular Dynamics Simulations and Analysis

(2010) Zuojun Guo et al.   Chemical Biology & Drug Design

Selective Inhibition of Carbonic Anhydrase IX Decreases Cell Proliferation and Induces Ceramide-Mediated Apoptosis in Human Cancer Cells

(2010) F. Cianchi et al.   JOURNAL OF PHARMACOLOGY AND EXPERIMENTAL THERAPEUTICS

DrugScorePPI webserver: fast and accurate in silico alanine scanning for scoring protein–protein interactions

(2010) Dennis M. Kr�ger et al.   NUCLEIC ACIDS RESEARCH

Can self-inhibitory peptides be derived from the interfaces of globular protein-protein interactions?

(2010) Nir London et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS

Evaluation of endogenous acidic metabolic products associated with carbohydrate metabolism in tumor cells

(2009) Elizabeth A. Mazzio et al.   CELL BIOLOGY AND TOXICOLOGY

Deficient carbonic anhydrase 9 expression in UPR-impaired cells is associated with reduced survival in an acidic microenvironment

(2009) Twan van den Beucken et al.   RADIOTHERAPY AND ONCOLOGY

Hypoxia-Inducible Carbonic Anhydrase IX and XII Promote Tumor Cell Growth by Counteracting Acidosis through the Regulation of the Intracellular pH

(2008) J. Chiche et al.   CANCER RESEARCH

Cancer-Associated Carbonic Anhydrases and Their Inhibition

(2008) J. Pastorek et al.   CURRENT PHARMACEUTICAL DESIGN

Tumor-associated Carbonic Anhydrase 9 Spatially Coordinates Intracellular pH in Three-dimensional Multicellular Growths

(2008) Pawel Swietach et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Biochemical Characterization of CA IX, One of the Most Active Carbonic Anhydrase Isozymes

(2008) Mika Hilvo et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Carbonic anhydrases: novel therapeutic applications for inhibitors and activators

(2008) Claudiu T. Supuran   NATURE REVIEWS DRUG DISCOVERY