Toward the Identification of Natural Antiviral Drug Candidates against Merkel Cell Polyomavirus: Computational Drug Design Approaches

Evaluation of the antiproliferative effect of Iso-mukaadial acetate on breast and ovarian cancer cells

(2022) Portia P. Raphela-Choma et al.   Advances in Traditional Medicine

Computational Identification of Druggable Bioactive Compounds from Catharanthus roseus and Avicennia marina against Colorectal Cancer by Targeting Thymidylate Synthase

(2022) Md Rashedul Islam et al.   MOLECULES

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

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

(2021) Foysal Ahammad et al.   BRIEFINGS IN BIOINFORMATICS

Compounds Identified from Marine Mangrove Plant (Avicennia alba) as Potential Antiviral Drug Candidates against WDSV, an In-Silico Approach

(2021) Mohammed Othman Aljahdali et al.   Marine Drugs

Pharmacophore-Based Virtual Screening, Quantum Mechanics Calculations, and Molecular Dynamics Simulation Approaches Identified Potential Natural Antiviral Drug Candidates against MERS-CoV S1-NTD

(2021) Thamer A. Bouback et al.   MOLECULES

A systematic analysis of ATPase Cation transporting 13A2 (ATP13A2) transcriptional expression and prognostic value in human brain cancer

(2021) Rahat Alam et al.   Biomedical Signal Processing and Control

Spike protein recognizer receptor ACE2 targeted identification of potential natural antiviral drug candidates against SARS-CoV-2

(2021) Sushil Pokhrel et al.   INTERNATIONAL JOURNAL OF BIOLOGICAL MACROMOLECULES

Evaluation of in vitro and in silico anti-inflammatory potential of some selected medicinal plants of Bangladesh against cyclooxygenase-II enzyme

(2021) Md Aminul Islam et al.   JOURNAL OF ETHNOPHARMACOLOGY

A molecular modeling approach to identify effective antiviral phytochemicals against the main protease of SARS-CoV-2

(2020) Rajib Islam et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Discovering Anti-Cancer Drugs via Computational Methods

(2020) Wenqiang Cui et al.   Frontiers in Pharmacology

Identification of bioactive compounds from Glycyrrhiza glabra as possible inhibitor of SARS-CoV-2 spike glycoprotein and non-structural protein-15: a pharmacoinformatics study

(2020) Saurabh K. Sinha et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

Molecular dynamics simulation for screening phytochemicals as α-amylase inhibitors from medicinal plants

(2020) Priyanka Sharma et al.   JOURNAL OF BIOMOLECULAR STRUCTURE & DYNAMICS

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

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

Molecular Mechanisms of Merkel Cell Polyomavirus Transformation and Replication

(2020) Wei Liu et al.   Annual Review of Virology

Cirsilineol inhibits proliferation of lung squamous cell carcinoma by inducing ROS mediated apoptosis

(2020) Gauri Pathak et al.   FOOD AND CHEMICAL TOXICOLOGY

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

Predicting protein-ligand interactions based on bow-pharmacological space and Bayesian additive regression trees

(2019) Li Li et al.   Scientific Reports

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

(2019) Foysal Ahammad et al.   Microorganisms

Polyomavirus-positive Merkel cell carcinoma derived from a trichoblastoma suggests an epithelial origin of this Merkel cell carcinoma

(2019) Thibault Kervarrec et al.   JOURNAL OF INVESTIGATIVE DERMATOLOGY

A Comprehensive Review on Medicinal Plants as Antimicrobial Therapeutics: Potential Avenues of Biocompatible Drug Discovery

(2019) Uttpal Anand et al.   Metabolites

Computer Aided Drug Design and its Application to the Development of Potential Drugs for Neurodegenerative Disorders

(2018) Mohammad Hassan Baig et al.   Current Neuropharmacology

CASTp 3.0: computed atlas of surface topography of proteins

(2018) Wei Tian et al.   NUCLEIC ACIDS RESEARCH

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

(2018) Karthikeyan Mohanraj et al.   Scientific Reports

Human polyomaviruses and cancer: an overview

(2018) JC Prado et al.   Clinics

Drug Design and Discovery: Principles and Applications

(2017) Shu-Feng Zhou et al.   MOLECULES

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

(2017) Antoine Daina et al.   Scientific Reports

pkCSM: Predicting Small-Molecule Pharmacokinetic and Toxicity Properties Using Graph-Based Signatures

(2015) Douglas E. V. Pires et al.   JOURNAL OF MEDICINAL CHEMISTRY

Risk of Merkel Cell Carcinoma After Solid Organ Transplantation

(2015) C. A. Clarke et al.   JNCI-Journal of the National Cancer Institute

In silico ADME/T modelling for rational drug design

(2015) Yulan Wang et al.   QUARTERLY REVIEWS OF BIOPHYSICS

Risk of Merkel Cell Carcinoma After Solid Organ Transplantation

(2015) C. A. Clarke et al.   JNCI-Journal of the National Cancer Institute

Evaluation of anti-HCV activity and SAR study of (+)-lycoricidine through targeting of host heat-stress cognate 70 (Hsc70)

(2013) Duo-Zhi Chen et al.   BIOORGANIC & MEDICINAL CHEMISTRY LETTERS

Experimental and computational approaches to estimate solubility and permeability in drug discovery and development settings

(2012) Christopher A. Lipinski et al.   ADVANCED DRUG DELIVERY REVIEWS

Asymmetric Assembly of Merkel Cell Polyomavirus Large T-Antigen Origin Binding Domains at the Viral Origin

(2011) Celia J. Harrison et al.   JOURNAL OF MOLECULAR BIOLOGY

Computer-aided drug design platform using PyMOL

(2010) Markus A. Lill et al.   JOURNAL OF COMPUTER-AIDED MOLECULAR DESIGN

Cirsilineol inhibits proliferation of cancer cells by inducing apoptosis via mitochondrial pathway

(2010) Xia Sheng et al.   JOURNAL OF PHARMACY AND PHARMACOLOGY

Novel immunomodulatory properties of cirsilineol through selective inhibition of IFN-γ signaling in a murine model of inflammatory bowel disease

(2009) Yang Sun et al.   BIOCHEMICAL PHARMACOLOGY

An update on lignans: natural products and synthesis

(2009) Jian-Yu Pan et al.   NATURAL PRODUCT REPORTS

T antigen mutations are a human tumor-specific signature for Merkel cell polyomavirus

(2008) M. Shuda et al.   PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA

Clonal Integration of a Polyomavirus in Human Merkel Cell Carcinoma

(2008) H. Feng et al.   SCIENCE

Skin Irritation and Sensitization: Mechanisms and New Approaches for Risk Assessment

(2008) D. Basketter et al.   SKIN PHARMACOLOGY AND PHYSIOLOGY

Pharmacokinetics in Drug Discovery

(2007) Ana Ruiz-Garcia et al.   JOURNAL OF PHARMACEUTICAL SCIENCES