Open Daily: 10am - 10pm | Alley door pickup 10am - 7pm 3038 Hennepin Ave Minneapolis, MN
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  • Open Daily: 10am - 10pm
    Alley-side Pickup: 10am - 7pm

    3038 Hennepin Ave Minneapolis, MN
    612-822-4611

Open Daily: 10am - 10pm | Alley-side Pickup: 10am - 7pm
3038 Hennepin Ave Minneapolis, MN
612-822-4611
Novel Acid-Amine Derivatives for Their In-Silico and In-Vitro Analysis

Novel Acid-Amine Derivatives for Their In-Silico and In-Vitro Analysis

Patel, Ankit
Kapadiya, Yashraj
Khuman, Yash

Paperback

Chemistry

ISBN10: 6208491525
ISBN13: 9786208491529
Publisher: LAP Lambert Academic Publishing
Published: Sep 3 2025
Pages: 136
Weight: 0.42
Height: 0.32 Width: 6.00 Depth: 9.00
Language: English
This book explores the design, synthesis, spectroscopic characterisation, computational insights, and antimicrobial evaluation of novel acid-amine derivatives. It highlights the importance of amide-containing drugs, their synthesis through acid-amine coupling reactions, and the vital role of computational tools in modern drug discovery. The study utilised high-purity chemicals and advanced software to ensure reliable outcomes. Novel derivatives were successfully synthesised by coupling -COOH and -NH₂ groups with reagents such as HATU, HBTU, SOCl₂, and POCl₃, and characterised using H NMR, 3C NMR, UV, and mass spectrometry. Computational analysis provided insights into optimised geometries, Mulliken charge distribution, molecular electrostatic potential maps, and HOMO-LUMO energy gaps via DFT. Protein-ligand interaction studies using Schrödinger software revealed significant hydrogen bonding and hydrophobic contacts. Biological evaluation further demonstrated the antimicrobial potential of these derivatives, with certain compounds showing strong activity against both Gram-positive and Gram-negative bacterial strains, identifying them as promising leads for drug development.

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