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)

|Sep 29, 2025
Targeting dual substrate pockets of colistin resistance conferring MCR-1 of Escherichia coli 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-N-Mannich derivatives: in vitro 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)-N-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 N-Mannich Bases: Insights from Energy Frameworks, Hirshfeld Surface Analysis, In Silico 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