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Open access

Research article

First published 2020-4

Discovery of a Selective 6-Hydroxy-1,4-Diazepan-2-one Containing Butyrylcholinesterase Inhibitor by Virtual Screening and MM-GBSA Rescoring

You Zhou, Yanyu Hu, Xin Lu [...]

Dose-Response

Open access

Research article

First published 2024

Antiviral Activity,Pharmacoinformatics,Molecular Docking,and Dynamics Studies of Azadirachta indica Against Nipah Virus by Targeting Envelope Glycoprotein: Emerging Strategies for Developing Antiviral Treatment

Otun Saha, Noimul Hasan Siddiquee, Rahima Akter [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2025

Identification of Potent HDAC6 Inhibitors for Breast Cancer Through Multi-Stage In Silico Modeling

Vaishali Pankaj, Inderjeet Bhogal, Sudeep Roy

Bioinformatics and Biology Insights

Open access

Research article

First published 2022

Discovery of Promising Inhibitors of Epidermal Growth Factor Receptor (EGFR),Human Epidermal Growth Factor Receptor 2 (HER2),Estrogen Receptor (ER),and Phosphatidylinositol-3-kinase a (PI3Ka) for Personalized Breast Cancer Treatment

Precious A Akinnusi, Samuel O Olubode, Ayomide O Adebesin [...]

Cancer Informatics

Open access

Research article

First published 2024-11

In silico molecular docking and molecular dynamics of Prinsepia utilis phytochemicals as potential inhibitors of phosphodiesterase 4B

Cao Hoang Minh Chau, Ngu Thi Tra Giang, Nguyen Thi Thuy Tram [...]

Journal of Chemical Research

Open access

Research article

First published 2016

Interaction Analysis of T7 RNA Polymerase with Heparin and Its Low Molecular Weight Derivatives – An in Silico Approach

Subhomoi Borkotoky, Chetan Kumar Meena, Ayaluru Murali

Bioinformatics and Biology Insights

Open access

Research article

First published 2026

Multi-Epitope mRNA Vaccine Targeting Dabie Bandavirus Glycoprotein: An Immunoinformatics-Based Study

Sk Faisal Ahmed, Md Shah Paran, Md Masudur Rahman Munna [...]

Bioinformatics and Biology Insights

Open access

Research article

First published 2023-10

Computer-assisted drug discovery of potential natural inhibitors of the SARS-CoV-2 RNA-dependent RNA polymerase through a multi-phase in silico approach

Eslam B Elkaeed, Bshra A Alsfouk, Tuqa H Ibrahim [...]

Antiviral Therapy

Open access

Research article

First published 2024-4

Computer-Assisted Drug Discovery of Potential African Anti-SARS-CoV-2 Natural Products Targeting the Helicase Protein

Ahmed M. Metwaly, Mohamed S. Alesawy, Bshra A. Alsfouk [...]

Natural Product Communications

Open access

Research article

First published 2023

Potential Inhibitory Biomolecular Interactions of Natural Compounds With Different Molecular Targets of Diabetes

Precious A Akinnusi, Samuel O Olubode, Adebowale A Alade [...]

Bioinformatics and Biology Insights

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