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Polycyclic Aromatic Compounds Volume 43, 2023 - Issue 5
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Research Articles

Experimental Spectroscopic, Structural (Monomer and Dimer), Molecular Docking, Molecular Dynamics Simulation and Hirshfeld Surface Analysis of 2-Amino-6-Methylpyridine

Aysha Fatimaa School of Studies in Chemistry, Jiwaji University, Gwalior, India;c Department of Chemistry, Institute of H. Science, Dr. Bhimrao Ambedkar University, Agra, India
,
Meenakshi Singhc Department of Chemistry, Institute of H. Science, Dr. Bhimrao Ambedkar University, Agra, India
,
Khamael M. Abualnajad Department of Chemistry, College of Science, Taif University, Taif, Saudi Arabia
,
Khaled Althubeitid Department of Chemistry, College of Science, Taif University, Taif, Saudi Arabia
,
S. Muthue Department of Physics, Arignar Anna Government Arts College, Cheyyar, India
,
Nazia Siddiquib Department of Chemistry, Dayalbagh Educational Institute, Agra, IndiaCorrespondence[email protected]
&
Saleem Javedc Department of Chemistry, Institute of H. Science, Dr. Bhimrao Ambedkar University, Agra, IndiaCorrespondence[email protected]
ORCID Iconhttps://orcid.org/0000-0003-4623-100X
ORCID Icon show all
Pages 3910-3940 | Received 28 Mar 2022, Accepted 12 May 2022, Published online: 05 Jun 2022

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Hero Khan Pathan, Aysha Fatima, Pankaj Garg, S. Muthu, Anjali Yadav, Nazia Siddiqui, Mariyam Ali & Saleem Javed. (2023) Spectroscopic, Computational, Molecular Docking and Dynamics Simulations Studies of 4-Amino-3-hydroxyNaphthalene-1-Sulfonic Acid (ANSA). Polycyclic Aromatic Compounds 0:0, pages 1-20.
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Yaşar İpek, Yunus Başar, Semiha Yenigün, Lütfi Behçet, Tevfik Özen & İbrahim Demirtaş. In vitro bioactivities and in silico enzyme interactions of abietatrien-3β-ol by bio-guided isolation from Nepeta italica subsp. italica. Journal of Biomolecular Structure and Dynamics 0:0, pages 1-24.
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Articles from other publishers (3)

E. Devagi, L. Rajasekaran, K. Kalaimathi, P. Manikandan, A. Jeelani, Feride Akman, A. Manikandan, Saleem Javed & S. Muthu. (2024) Molecular structure properties, quantum computational, electronic, charge analyses and biological (drug-likeness and docking) studies on anti-inflammatory drug molecule of Balsalazide. Chemical Physics Impact 8, pages 100449.
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S. Lakshmi & M. Saravanan. (2024) Synthesis, crystal structure, optical, spectroscopic, and self-defocusing properties of novel 2-amino 6-methyl pyridinium adipate adipic acid (2A6MPAA) single crystals for third harmonic nonlinear optical applications. Optical Materials 149, pages 114892.
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Mohit Kumar, Gautam Jaiswar, Mohd. Afzal, Mohd. Muddassir, Abdullah Alarifi, Aysha Fatima, Nazia Siddiqui, Rashid Ayub, Naaser A. Y. Abduh, Waseem Sharaf Saeed & Saleem Javed. (2023) Quantum Computational, Spectroscopic (FT-IR, FT-Raman, NMR, and UV–Vis) Hirshfeld Surface and Molecular Docking-Dynamics Studies on 5-Hydroxymethyluracil (Monomer and Trimer). Molecules 28:5, pages 2116.
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