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Research article

First published 2024-01

Cisplatin and Procaterol Combination in Gastric Cancer? Targeting Checkpoint Kinase 1 for Cancer Drug Discovery and Repurposing by an Integrated Computational and Experimental Approach

Suchitha Giridhara Prema, Jaikanth Chandrasekaran, Saptami Kanekar [...]

OMICS: A Journal of Integrative Biology

Open access

Research article

First published 2010

A Novel Strategy for Mechanism Based Computational Drug Discovery

Kalyaanamoorthy Subha, Gopal Ramesh Kumar, Rajasekaran Rajalakshmi [...]

Biomarkers in Cancer

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Research article

First published

Deterministic Pharmacophore Detection via Multiple Flexible Alignment of Drug-Like Molecules

Dina Schneidman-Duhovny, Oranit Dror, Yuval Inbar [...]

Journal of Computational Biology

Open access

Research article

First published 2023

Computer-Assisted Drug Discovery of a Novel Theobromine Derivative as an EGFR Protein-Targeted Apoptosis Inducer

Ibrahim H Eissa, Reda G Yousef, Eslam B Elkaeed [...]

Evolutionary Bioinformatics

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Research article

First published 2021-09

Phytoconstituents and Medicinal Plants for Anticancer Drug Discovery: Computational Identification of Potent Inhibitors of PIM1 Kinase

Farah Anjum, Taj Mohammad, Abdulraheem Ali Almalki [...]

OMICS: A Journal of Integrative Biology

Open access

Research article

First published 2025-9

Computer-aided drug discovery of potential semisynthetic inhibitors for SARS-CoV-2 main protease: A multi-phase computational approach

Ahmed M Metwaly, Hazem Elkady, Eslam B Elkaeed [...]

Journal of Chemical Research

Open access

Research article

First published 2024-1

Computer-aided drug discovery of natural antiviral metabolites as potential SARS-CoV-2 helicase inhibitors

Eslam B Elkaeed, Ibrahim H Eissa, Abdulrahman M Saleh [...]

Journal of Chemical Research

Free access

Research article

First published 2014-6

The Role of Historical Bioactivity Data in the Deconvolution of Phenotypic Screens

Aurelie Bornot, Carolyn Blackett, Ola Engkvist [...]

Journal of Biomolecular Screening

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 2025-12

Assessing the Anticancer Potential of Compounds from Caesalpinia sappan Wood against Mutant EGFR in Lung Squamous Cell Carcinoma: Computational Insights

Shaik Pashmina, Nitya Krishnasamy, Suganya Panneer Selvam [...]

Journal of Pharmacology and Pharmacotherapeutics

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