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Subbiah Thamotharan

15PUBLICATIONS

33CO-AUTHORS

Cheminformatics and quantitative structure-activity relationshipsBiologically active moleculesOrganic chemical synthesisBiomolecular modelling and designTheoretical quantum chemistry

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Publications (15)

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|Sep 29, 2025

Targeting dual substrate pockets of colistin resistance conferring MCR-1 of <i>Escherichia coli</i> with natural products: insights from high throughput virtual screening and molecular dynamics simulations.

Sathish Kumar Marimuthu, Vigneshwar Ramakrishnan, Subbiah Thamotharan

|Sep 28, 2024

Thiophene-Linked 1,2,4-Triazoles: Synthesis, Structural Insights and Antimicrobial and Chemotherapeutic Profiles.

Nada A El-Emam, Mahmoud B El-Ashmawy, Ahmed A B Mohamed

|Apr 04, 2024

Deconstructive annulation mediated one-pot synthesis of xanthene derivatives.

Balasubramaniyam Manikandan, Subbiah Thamotharan, Olivier Blacque

|Nov 29, 2023

A combined crystallographic and theoretical investigation of noncovalent interactions in 1,3,4-oxadiazole-2-thione-<i>N</i>-Mannich derivatives: <i>in vitro</i> bioactivity and molecular docking.

Lamya H Al-Wahaibi, Kowsalya Alagappan, Rosa M Gomila

|Dec 11, 2022

X-ray Structures and Computational Studies of Two Bioactive 2-(Adamantane-1-carbonyl)-<i>N</i>-substituted Hydrazine-1-carbothioamides.

Lamya H Al-Wahaibi, Kowsalya Alagappan, Olivier Blacque

|Nov 11, 2022

Weak Noncovalent Interactions in Three Closely Related Adamantane-Linked 1,2,4-Triazole <i>N</i>-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, <i>In Silico</i> 11β-HSD1 Molecular Docking and ADMET Prediction.

Lamya H Al-Wahaibi, Mario A Macías, Olivier Blacque

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Frequent Collaborators

9 joint publications

María Judith Percino

6 joint publications

Ali A El-Emam

4 joint publications

Olivier Blacque

3 joint publications

Ahmed A B Mohamed

2 joint publications

Nora H Al-Shaalan

2 joint publications

Subramaniapillai Selva Ganesan

1 joint publications

Enrique Pérez-Gutiérrez

1 joint publications

Lindsay Moss-Taylor

1 joint publications

Sivanandan Chudalayandi

1 joint publications

Angel R Del Valle-Echevarria

Frequent Collaborators

9 joint publications

María Judith Percino

6 joint publications

Ali A El-Emam

4 joint publications

Olivier Blacque

3 joint publications

Ahmed A B Mohamed

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