Pharmacoinformatics and molecular dynamics simulation-based phytochemical screening of neem plant (Azadiractha indica) against human cancer by targeting MCM7 protein

Structure based pharmacophore modeling, virtual screening, molecular docking and ADMET approaches for identification of natural anti-cancer agents targeting XIAP protein

(2021) Firoz A. Dain Md Opo et al.   Scientific Reports

CryoEM structures of human CMG–ATPγS–DNA and CMG–AND-1 complexes

(2020) Neil J Rzechorzek et al.   NUCLEIC ACIDS RESEARCH

Current development of integrated web servers for preclinical safety and pharmacokinetics assessments in drug development

(2020) Yi Hsiao et al.   BRIEFINGS IN BIOINFORMATICS

Designing a multi-epitope vaccine against SARS-CoV-2: an immunoinformatics approach

(2020) Abdus Samad et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Potential inhibitors for the novel coronavirus (SARS-CoV-2)

(2020) Yanqiang Han et al.   BRIEFINGS IN BIOINFORMATICS

Exploration of natural compounds with anti-SARS-CoV-2 activity via inhibition of SARS-CoV-2 Mpro

(2020) Shiv Bharadwaj et al.   BRIEFINGS IN BIOINFORMATICS

High expression of bone morphogenetic protein 1 (BMP1) is associated with a poor survival rate in human gastric cancer, a dataset approaches

(2020) Jahirul Hasnat Rafi et al.   GENOMICS

Virtual screening and molecular dynamics simulation study of plant-derived compounds to identify potential inhibitors of main protease from SARS-CoV-2

(2020) Shafi Mahmud et al.   BRIEFINGS IN BIOINFORMATICS

Contemporary Strategies and Current Trends in Designing Antiviral Drugs against Dengue Fever via Targeting Host-Based Approaches

(2019) Foysal Ahammad et al.   Microorganisms

IMPPAT: A curated database of Indian Medicinal Plants, Phytochemistry And Therapeutics

(2018) Karthikeyan Mohanraj et al.   Scientific Reports

Anticancer Activity of Bacterial Proteins and Peptides

(2018) Tomasz Karpiński et al.   Pharmaceutics

admetSAR 2.0: web-service for prediction and optimization of chemical ADMET properties

(2018) Hongbin Yang et al.   BIOINFORMATICS

An Overview on the Anticancer Activity of Azadirachta indica (Neem) in Gynecological Cancers

(2018) Marius Moga et al.   INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES

MCM7 amplification and overexpression promote cell proliferation, colony formation and migration in esophageal squamous cell carcinoma by activating the AKT1/mTOR signaling pathway

(2017) Yun-Tan Qiu et al.   ONCOLOGY REPORTS

SwissADME: a free web tool to evaluate pharmacokinetics, drug-likeness and medicinal chemistry friendliness of small molecules

(2017) Antoine Daina et al.   Scientific Reports

An analysis of FDA-approved drugs: natural products and their derivatives

(2016) Eric Patridge et al.   DRUG DISCOVERY TODAY

Therapeutics Role ofAzadirachta indica(Neem) and Their Active Constituents in Diseases Prevention and Treatment

(2016) Mohammad A. Alzohairy   Evidence-based Complementary and Alternative Medicine

TIMELESS Suppresses the Accumulation of Aberrant CDC45·MCM2-7·GINS Replicative Helicase Complexes on Human Chromatin

(2016) Xiaohua Xu et al.   JOURNAL OF BIOLOGICAL CHEMISTRY

Dynamic loading and redistribution of the Mcm2-7 helicase complex through the cell cycle

(2015) S. K. Powell et al.   EMBO JOURNAL

Plant derived substances with anti-cancer activity: from folklore to practice

(2015) Marcelo Fridlender et al.   Frontiers in Plant Science

Switch on the engine: how the eukaryotic replicative helicase MCM2–7 becomes activated

(2014) Silvia Tognetti et al.   CHROMOSOMA

Epidermal Growth Factor Receptor Potentiates MCM7-Mediated DNA Replication through Tyrosine Phosphorylation of Lyn Kinase in Human Cancers

(2013) Tzu-Hsuan Huang et al.   CANCER CELL

Protein and ligand preparation: parameters, protocols, and influence on virtual screening enrichments

(2013) G. Madhavi Sastry et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Bioinformatics opportunities for identification and study of medicinal plants

(2012) V. Sharma et al.   BRIEFINGS IN BIOINFORMATICS

Dbf4-Cdc7 Phosphorylation of Mcm2 Is Required for Cell Growth

(2009) Irina Bruck et al.   JOURNAL OF BIOLOGICAL CHEMISTRY