Synthesis, Crystal Growth, and Computational Investigation of New Tetrahydroisoquinoline Derivatives Potent against Molecule Nitric Oxide Synthases

Synthesis, Crystal Growth, and Computational Investigation of New Tetrahydroisoquinoline Derivatives Potent against Molecule Nitric Oxide Synthases

In the present work, we describe the synthesis of new tetrahydroisoquinoline derivatives and the crystal structures of two of them. Density functional theory (DFT) investigations at the B3LYP/6-31+G(d,p) level provided their structural reactivity and nonlinear optical properties. The low HOMO-LUMO g...

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Bibliographic Details
Main Authors: Youness El Bakri, Shaaban K. Mohamed, Atazaz Ahsin, Subramani Karthikeyan, Suzan Abuelhassan, Abdu E. Abdel-Rahman, Islam S. Marae, Etify A. Bakhite, Joel T. Mague, Rashad Al-Salahi
Format: Article
Language:English
Published: MDPI AG 2023-07-01
Series:Crystals
Subjects:
tetrahydroisoquinoline
crystal structure
FMO
NBO
NLO
molecular docking
Online Access:https://www.mdpi.com/2073-4352/13/8/1161

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https://www.mdpi.com/2073-4352/13/8/1161

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