Tushar J. Pawar
Anahuac, QUE 76246, Mexico
Last Updated: 09/26/2026
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Found 20 publications
QSAR-ML- and Metadynamics-Guided Design of Symmetrical Bis-Indanones to Overcome Mutational Anchor Loss in Acetylcholinesterase.
Journal: Pharmaceuticals (Basel, Switzerland)
Published: June 08, 2026
Dual-Site Acetylcholinesterase Inhibition and Multiscale Stability of Fused Quinoline Sulfonamides: A Chemoinformatic GA-MLR and Molecular Dynamics Study.
Journal: International journal of molecular sciences
Published: March 06, 2026
Cytostatic and Pro-Apoptotic Effects of Justicia spicigera Schltdl. on LNCaP Prostate Cancer Cells: Role of G0/G1 Cell Cycle Arrest and Phytochemical Characterization.
Journal: Plants (Basel, Switzerland)
Published: February 03, 2026
Galloylation-Driven Anchoring of the Asp325-Asp336 Ridge: The Molecular Logic Behind the Superior Kinetic Stabilization of HMPV Fusion Protein by Green Tea Dimeric Catechins.
Journal: Molecules (Basel, Switzerland)
Published: January 13, 2026
Efficient synthesis, dual anti-tubercular and antioxidant activity of triazole-acetophenone derivatives: enhanced efficacy via esterification and quantum mechanical validation of CYP121 binding.
Journal: RSC advances
Published: December 04, 2025
An Integrated QSAR-MD-DCCM Pipeline: A Predictive Computational Platform for the Rational Design and Dynamic Functional Validation of Dual-Target Directed Ligands.
Journal: Pharmaceuticals (Basel, Switzerland)
Published: December 02, 2025
Design and Evaluation of Indole-Based Schiff Bases as α-Glucosidase Inhibitors: CNN-Enhanced Docking, MD Simulations, ADMET Profiling, and SAR Analysis.
Journal: Molecules (Basel, Switzerland)
Published: August 05, 2025
Design, synthesis, molecular docking, and antimicrobial evaluation of hybrid peptides incorporating unnatural amino acids with enhanced hydrophobic sidechains.
Journal: RSC advances
Published: July 21, 2025
Benzothiazole-thiazole hybrids as broad-spectrum antimicrobial agents: synthesis, SAR analysis, and molecular docking against bacterial and fungal targets.
Journal: RSC advances
Published: June 15, 2025
Multistage Molecular Simulations, Design, Synthesis, and Anticonvulsant Evaluation of 2-(Isoindolin-2-yl) Esters of Aromatic Amino Acids Targeting GABAA Receptors via π-π Stacking.
Journal: International journal of molecular sciences
Published: June 07, 2025
Anticonvulsant Potential and Toxicological Profile of Verbesina persicifolia Leaf Extracts: Evaluation in Zebrafish Seizure and Artemia salina Toxicity Models.
Journal: Plants (Basel, Switzerland)
Published: February 20, 2025
Last Updated: 09/26/2026