Sulfonanilide Derivatives in Identifying Novel Aromatase Inhibitors by Applying Docking, Virtual Screening, and MD Simulations Studies

Molecular Docking, Molecular Dynamics Simulations, Computational Screening to Design Quorum Sensing Inhibitors Targeting LuxP of Vibrio harveyi and Its Biological Evaluation

(2016) Sundaraj Rajamanikandan et al.   APPLIED BIOCHEMISTRY AND BIOTECHNOLOGY

Molecular interactions of UvrB protein and DNA from Helicobacter pylori : Insight into a molecular modeling approach

(2016) Rohit Bavi et al.   COMPUTERS IN BIOLOGY AND MEDICINE

Novel virtual lead identification in the discovery of hematopoietic cell kinase (HCK) inhibitors: application of 3D QSAR and molecular dynamics simulation

(2016) Rohit Bavi et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

DisGeNET: a comprehensive platform integrating information on human disease-associated genes and variants

(2016) Janet Piñero et al.   NUCLEIC ACIDS RESEARCH

Drug Repositioning for Cancer Therapy Based on Large-Scale Drug-Induced Transcriptional Signatures

(2016) Haeseung Lee et al.   PLoS One

Pharmacophore modeling and in silico toxicity assessment of potential anticancer agents from African medicinal plants

(2016) Fidele Ntie-Kang et al.   Drug Design Development and Therapy

Network Based Approach in the Establishment of the Relationship between Type 2 Diabetes Mellitus and Its Complications at the Molecular Level Coupled with Molecular Docking Mechanism

(2016) Shailima Rampogu et al.   Biomed Research International

Studies on Bacterial Proteins Corona Interaction with Saponin Imprinted ZnO Nanohoneycombs and Their Toxic Responses

(2015) Deepali Sharma et al.   ACS Applied Materials & Interfaces

Synthesis and molecular docking of 1,2,3-triazole-based sulfonamides as aromatase inhibitors

(2015) Ratchanok Pingaew et al.   BIOORGANIC & MEDICINAL CHEMISTRY

Network-Based Inference Methods for Drug Repositioning

(2015) Hailin Chen et al.   Computational and Mathematical Methods in Medicine

Recent developments in steroidal and nonsteroidal aromatase inhibitors for the chemoprevention of estrogen-dependent breast cancer

(2015) Irshad Ahmad et al.   EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY

Binding Mode Analysis of Zerumbone to Key Signal Proteins in the Tumor Necrosis Factor Pathway

(2015) Ayesha Fatima et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

DisGeNET: a discovery platform for the dynamical exploration of human diseases and their genes

(2015) J. Pinero et al.   Database-The Journal of Biological Databases and Curation

Ligand-Based and Structure-Based Investigation for Alzheimer’s Disease from Traditional Chinese Medicine

(2014) Kai Hsin Liao et al.   Evidence-based Complementary and Alternative Medicine

g_mmpbsa—A GROMACS Tool for High-Throughput MM-PBSA Calculations

(2014) Rashmi Kumari et al.   Journal of Chemical Information and Modeling

Computing Clinically Relevant Binding Free Energies of HIV-1 Protease Inhibitors

(2014) David W. Wright et al.   Journal of Chemical Theory and Computation

In Silico Docking, Molecular Dynamics and Binding Energy Insights into the Bolinaquinone-Clathrin Terminal Domain Binding Site

(2014) Mohammed Abdel-Hamid et al.   MOLECULES

Drug Repositioning Approaches for the Discovery of New Therapeutics for Alzheimer’s Disease

(2014) Tae-Wan Kim   Neurotherapeutics

Mechanisms associated with resistance to tamoxifen in estrogen receptor-positive breast cancer (Review)

(2014) RUBÍ VIEDMA-RODRÍGUEZ et al.   ONCOLOGY REPORTS

Design, synthesis, docking study and cytotoxic activity evaluation of some novel letrozole analogs

(2014) Mohsen Vosooghi et al.   DARU-Journal of Pharmaceutical Sciences

Pharmacophore Modeling, Virtual Screening, and Molecular Docking Studies for Discovery of Novel Akt2 Inhibitors

(2013) Jia Fei et al.   International Journal of Medical Sciences

Network-based drug discovery by integrating systems biology and computational technologies

(2012) E. L. Leung et al.   BRIEFINGS IN BIOINFORMATICS

Free Energy Calculations by the Molecular Mechanics Poisson−Boltzmann Surface Area Method

(2012) Nadine Homeyer et al.   Molecular Informatics

Multi-Target Drugs: The Trend of Drug Research and Development

(2012) Jin-Jian Lu et al.   PLoS One

Accurate Determination of the Binding Free Energy for KcsA-Charybdotoxin Complex from the Potential of Mean Force Calculations with Restraints

(2011) Po-Chia Chen et al.   BIOPHYSICAL JOURNAL

Network-based methods for human disease gene prediction

(2011) X. Wang et al.   Briefings in Functional Genomics

Differences between the non-steroidal aromatase inhibitors anastrozole and letrozole – of clinical importance?

(2011) J Geisler   BRITISH JOURNAL OF CANCER

Association of serum sex steroid levels and bone mineral density with CYP17 and CYP19 gene polymorphisms in postmenopausal women in Turkey

(2011) M.B. Yilmaz et al.   GENETICS AND MOLECULAR RESEARCH

SwissParam: A fast force field generation tool for small organic molecules

(2011) Vincent Zoete et al.   JOURNAL OF COMPUTATIONAL CHEMISTRY

ER -Dependent E2F Transcription Can Mediate Resistance to Estrogen Deprivation in Human Breast Cancer

(2011) T. W. Miller et al.   Cancer Discovery

The Expanding Use of Third-Generation Aromatase Inhibitors: What the General Internist Needs to Know

(2009) Susan Hong et al.   JOURNAL OF GENERAL INTERNAL MEDICINE

Structural basis for androgen specificity and oestrogen synthesis in human aromatase

(2009) Debashis Ghosh et al.   NATURE

Novel Sulfonanilide Analogs Decrease Aromatase Activity in Breast Cancer Cells: Synthesis, Biological Evaluation, and Ligand-Based Pharmacophore Identification

(2008) Bin Su et al.   JOURNAL OF MEDICINAL CHEMISTRY

Radius of gyration as an indicator of protein structure compactness

(2008) M. Yu. Lobanov et al.   MOLECULAR BIOLOGY

Network-based global inference of human disease genes

(2008) Xuebing Wu et al.   Molecular Systems Biology

Network-based prediction of human tissue-specific metabolism

(2008) Tomer Shlomi et al.   NATURE BIOTECHNOLOGY

Aromatase Inhibitors: Are There Differences Between Steroidal and Nonsteroidal Aromatase Inhibitors and Do They Matter?

(2008) W. R. Miller et al.   ONCOLOGIST