Facilitating the drug repurposing with iC/E strategy: A practice on novel nNOS inhibitor discovery

In-Silico Identification of Natural Compounds from Traditional Medicine as Potential Drug Leads against SARS-CoV-2 Through Virtual Screening

(2022) Sai Mithilesh et al.   Proceedings of the National Academy of Sciences, India. Section B

Systematic Modeling, Prediction, and Comparison of Domain–Peptide Affinities: Does it Work Effectively With the Peptide QSAR Methodology?

(2022) Qian Liu et al.   Frontiers in Genetics

Drug repurposing in silico screening platforms

(2022) Jonathan G.L. Mullins   BIOCHEMICAL SOCIETY TRANSACTIONS

Integrated unsupervised–supervised modeling and prediction of protein–peptide affinities at structural level

(2022) Peng Zhou et al.   BRIEFINGS IN BIOINFORMATICS

Rational truncation, mutation, and halogenation of bradykinin neuropeptides as potent ACEII inhibitors by integrating molecular dynamics simulations, quantum mechanics calculations, and in vitro assays

(2022) Jun Fu et al.   JOURNAL OF THE CHINESE CHEMICAL SOCIETY

PepQSAR: a comprehensive data source and information platform for peptide quantitative structure–activity relationships

(2022) Jing Lin et al.   AMINO ACIDS

Systematic analysis and comparison of peptide specificity and selectivity between their cognate receptors and noncognate decoys

(2022) Jianping Shu et al.   JOURNAL OF MOLECULAR RECOGNITION

Targeting peptide‐mediated interactions in omics

(2022) Jing Lin et al.   PROTEOMICS

Systematic Comparison and Comprehensive Evaluation of 80 Amino Acid Descriptors in Peptide QSAR Modeling

(2021) Peng Zhou et al.   Journal of Chemical Information and Modeling

Drug Repurposing for Rare Diseases

(2021) Helen I. Roessler et al.   TRENDS IN PHARMACOLOGICAL SCIENCES

Dexamethasone in Hospitalized Patients with Covid-19 — Preliminary Report

(2020)   NEW ENGLAND JOURNAL OF MEDICINE

Drug repurposing approach to fight COVID-19

(2020) Thakur Uttam Singh et al.   Pharmacological Reports

Neurophysiologic implications of neuronal nitric oxide synthase

(2020) Masoumeh Kourosh-Arami et al.   REVIEWS IN THE NEUROSCIENCES

Drug repurposing: a promising tool to accelerate the drug discovery process

(2019) Vineela Parvathaneni et al.   DRUG DISCOVERY TODAY

Docking Screens for Dual Inhibitors of Disparate Drug Targets for Parkinson’s Disease

(2018) Mariama Jaiteh et al.   JOURNAL OF MEDICINAL CHEMISTRY

Drug repurposing: progress, challenges and recommendations

(2018) Sudeep Pushpakom et al.   NATURE REVIEWS DRUG DISCOVERY

Targeting Self-Binding Peptides as a Novel Strategy To Regulate Protein Activity and Function: A Case Study on the Proto-oncogene Tyrosine Protein Kinase c-Src

(2017) Zhengya Bai et al.   Journal of Chemical Information and Modeling

Arpeggio: A Web Server for Calculating and Visualising Interatomic Interactions in Protein Structures

(2017) Harry C Jubb et al.   JOURNAL OF MOLECULAR BIOLOGY

Orlistat response to missense mutations in lipoprotein lipase

(2016) Huayou Chen et al.   BIOTECHNOLOGY AND APPLIED BIOCHEMISTRY

Targeting neuronal nitric oxide synthase as a valuable strategy for the therapy of neurological disorders

(2016) Cristina Maccallini et al.   Neural Regeneration Research

Role of computer-aided drug design in modern drug discovery

(2015) Stephani Joy Y. Macalino et al.   ARCHIVES OF PHARMACAL RESEARCH

Potent inhibition of TGF-βsignaling pathway regulator Abl: potential therapeutics for hepatic fibrosis

(2014) Kuifeng Wang et al.   JOURNAL OF RECEPTORS AND SIGNAL TRANSDUCTION

Combating multidrug resistance in bacterial infection by targeting functional proteome with natural products

(2014) Meng Xiong et al.   NATURAL PRODUCT RESEARCH

Conformation Guides Molecular Efficacy in Docking Screens of Activated β-2 Adrenergic G Protein Coupled Receptor

(2013) Dahlia R. Weiss et al.   ACS Chemical Biology

Neuronal Nitric Oxide Synthase Inhibition Prevents Cerebral Palsy following Hypoxia-Ischemia in Fetal Rabbits: Comparison between JI-8 and 7-Nitroindazole

(2011) Lei Yu et al.   DEVELOPMENTAL NEUROSCIENCE

Rapid Context-Dependent Ligand Desolvation in Molecular Docking

(2010) Michael M. Mysinger et al.   Journal of Chemical Information and Modeling

Improving physical realism, stereochemistry, and side-chain accuracy in homology modeling: Four approaches that performed well in CASP8

(2009) Elmar Krieger et al.   PROTEINS-STRUCTURE FUNCTION AND BIOINFORMATICS