Publications by authors named "Renjith Thomas"

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Protonation-Induced Planarization and Aromaticity Enhancement in Diazahelicenes: A Route to Stronger Bases.
Manjesh Mathew, Ralph Puchta, Renjith Thomas

J Phys Chem A· January 2026

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Multifaceted potency of green synthesized pyridine derived Schiff base: A comprehensive study of antimicrobial, antioxidant, anti-inflammatory, cytotoxic, and Enzymatic properties with density Functional Theory and bioinformatics insights.
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, Renjith Thomas

Biochem Biophys Res Commun· December 2025

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Combining data-driven and quantum chemical approaches to evaluate Minnesota functionals (M06-2X, MN12-SX, and MN15) for the enthalpy of formation predictions.
Ali A Khairbek, Ali Moulhim, Homam Ibraheem, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, Renjith Thomas

J Mol Model· November 2025

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Surface-enhanced Raman spectroscopic sensing of the herbicide alachlor using Au nanocluster.
Mekha Susan Rajan, Renjith Thomas

Spectrochim Acta A Mol Biomol Spectrosc· October 2025

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Investigating the intrinsic electronic, structural properties and diverse bioactivities of mechanochemically crafted halogenated pyridine derivative: A combined experimental and computational study.
K J Rajimon, B K Sarojini, Renjith Thomas

Biochem Biophys Res Commun· October 2025

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Synthesis of Vanillin derivative Schiff's bases from threonine, and valine: Structural study and multiscale computational modeling.
R Karthika, S Nandhini, S Suriya, T Pooventhiran, Abdullah Yahya Abdullah Alzahrani, Renjith Thomas

Biochem Biophys Res Commun· September 2025

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Assessing the Catalytic Potential of Novel ADAP-M (M = Cu, Ag, Au) Catalysts in [3 + 2] Cycloaddition Reactions.
Ali A Khairbek, Maha I Al-Zaben, Renjith Thomas

J Comput Chem· July 2025

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In Silico Analysis of Curcumin's Targeted Cancer Therapy: Folate Receptor Pathways and Molecular Interaction Insights.
K J Rajimon, Rafa Almeer, Pooventhiran Thangaiyan, Ali Khairbek, Renjith Thomas

Chem Biodivers· April 2025

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Design, Synthesis, Biocompatibility, molecular docking and molecular dynamics studies of novel Benzo[b]thiophene-2-carbaldehyde derivatives targeting human IgM Fc Domains.
K J Rajimon, Abdullah Yahya Abdullah Alzahrani, Pooventhiran Thangaiyan, Renjith Thomas

Bioorg Chem· March 2025

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Computational study on novel RhCp (X = CF, SiF, CCl, SOH) as promising catalysts in the [3 + 2] azide-alkyne cycloaddition reaction: insights into mechanistic pathways and reactivity.
Ali A Khairbek, Mohammad Abd-Al Hakim Badawi, Abdullah Y Alzahrani, Ralph Puchta, Renjith Thomas

Dalton Trans· February 2025

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Intermolecular Forces in Bioactive Resveratrol Complexes with Alcohols: A Study of Stability and Electronic Structure.
Natarajan Elangovan, Natarajan Arumugam, Madhappan Santhamoorthy, Renjith Thomas

J Phys Chem B· February 2025

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Assessing the catalytic potential of novel halogen substituted carbene NHC (F, Cl, Br, I) catalysts in [3 + 2] cycloaddition reactions: A computational investigation.
Ali A Khairbek, Mohammad Abd-Al Hakim Badawi, Abdullah Y Alzahrani, Renjith Thomas

Dalton Trans· October 2024

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Mapping the Interaction Landscape of Adenosine and Minoxidil Sulfate Using an Independent Gradient Model Based on Hirshfeld Partition and Interaction Region Indicator.
Sneha Anna Sunny, Ananya Prakash, Rafa Almeer, Renjith Thomas

J Phys Chem B· October 2024

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Assessing the Noncovalent Interaction of Deucravacitinib and Ethanol with Special Reference to an Independent Gradient Model Based on Hirshfeld Partition.
Jisha Mary Thomas, Abdullah Y Alzahrani, Priyadharshini Govindarajan, Renjith Thomas

J Phys Chem B· October 2024

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Disposable paper electrodes for detection of changes in dopamine concentrations in rat brain homogenates.
J Sonia, B N Kumara, Kevin Joakim Pinto, A Hashim, E S Sindhu Priya, Renjith Thomas

Talanta· July 2024

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Study of Non-Covalent Interactions Present in the Tapinarof-Ethanol System with Special Emphasis on Hydrogen-Bonding Interactions.
Jisha Mary Thomas, Renjith Thomas

J Phys Chem B· July 2023

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Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions.
Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, Renjith Thomas

J Mol Model· July 2023

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Correction: Evidences of noncovalent interactions between indole and dichloromethane under different solvent conditions.
Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, Renjith Thomas

J Mol Model· July 2023

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Synthesis and Biological Evaluation of Octahydroquinazolinones as Phospholipase A2, and Protease Inhibitors: Experimental and Theoretical Exploration.
Md Afroz Bakht, Thangaiyan Pooventhiran, Renjith Thomas, Mehnaz Kamal, Israf Ud Din

Molecules· February 2023

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Adsorption of a thione derivative on carbon, AlN, and BN nanotubes: a detailed DFT and MD investigation.
Jamelah S Al-Otaibi, Muhammad Shabeer, Y Sheena Mary, Y Shyma Mary, Renjith Thomas

J Mol Model· June 2022

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Synthesis and investigation of anti-COVID19 ability of ferrocene Schiff base derivatives by quantum chemical and molecular docking.
Ghulam Abbas, Ahmad Irfan, Ishtiaq Ahmed, Firas Khalil Al-Zeidaneen, S Muthu, Renjith Thomas

J Mol Struct· April 2022

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Evidence of cluster formation of croconic acid with Ag, Au and Cu cages, enhancement of electronic properties and Raman activity.
Jamelah S Al-Otaibi, Y Sheena Mary, Y Shyma Mary, Renjith Thomas

Spectrochim Acta A Mol Biomol Spectrosc· January 2022

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Energy and reactivity profile and proton affinity analysis of rimegepant with special reference to its potential activity against SARS-CoV-2 virus proteins using molecular dynamics.
T Pooventhiran, Ephraim Felix Marondedze, Penny Poomani Govender, Utsab Bhattacharyya, D Jagadeeswara Rao, Renjith Thomas

J Mol Model· September 2021

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Structural investigations, quantum mechanical studies on proton and metal affinity and biological activity predictions of selpercatinib.
Nabil Al-Zaqri, T Pooventhiran, Fahad A Alharthi, Utsab Bhattacharyya, Renjith Thomas

J Mol Liq· March 2021

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Growth, spectral, optical, electrical and computational analysis of sodium oxalate single crystals.
R Ramalakshmi, S Stella Mary, S Shahil Kirupavathy, S Muthu, Renjith Thomas

Heliyon· March 2021

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