Alpha 2.0
Login Register
» Authors » Azadeh Khanmohammadi

Azadeh Khanmohammadi

Explore the profile of Azadeh Khanmohammadi including associated specialties, affiliations and a list of published articles. Areas
Snapshot
Articles 7
Citations 8
Followers 0
Related Specialties
Molecular Biology
Chemistry
Top 10 Co-Authors
Fahimeh Alirezapour
Mohammad Reza Poor Heravi
Marziyeh Mohammadi
A Husein Adthab
Kourosh Bamdad
Sarvin Mohammadi-Aghdam
Nahed Mahmood Ahmed Alsultany
Abdol Ghaffar Ebadi
Ahmad Saeed Hessen
Sheida Ahmadi
Published In
J Mol Model
Acta Crystallogr C Struct Chem
J Mol Graph Model
Affiliations
Soon will be listed here.
Recent Articles
1.
Adsorption of sulfur mustard on the transition metals (TM = Ti, Cr, Fe Co, Ni, Cu, Zn) porphyrins induced in carbon nanocone (TM-PCNC): Insight from DFT calculation
Hessen A, Ahmed Alsultany N, Bahir H, Adthab A, Soleimani-Amiri S, Ahmadi S, et al.
J Mol Graph Model . 2024 Dec; 135():108928. PMID: 39693816
The density functional theory (DFT) method is applied to investigate the ability of transition metals porphyrins induced in carbon nanocone (TM-PCNC, TM = Ti, Cr, Fe, Co, Ni, Cu, and...
2.
Effect of non-covalent interactions on the stability and structural properties of 2,4-dioxo-4-phenylbutanoic complex: a computational analysis
Mohammadi M, Sharifi F, Khanmohammadi A
J Mol Model . 2024 Oct; 30(11):376. PMID: 39404895
Context: The 2,4-dioxo-4-phenylbutanoic acid (DPBA) is a subject of interest in pharmaceutical research, particularly in developing new drugs targeting viral and bacterial infections. Complexation with metal ions can improve the...
3.
Zigzag boron nitride nanotube functionalization as a sensor for the recognition of group IIA (Mg, Ca) metal ions, quasi-metal (Si, Ge) ions, and transition metal (Cu, Zn) ions: a computational study
Alirezapour F, Mohammadi M, Khanmohammadi A
J Mol Model . 2024 May; 30(6):174. PMID: 38771381
Context: Boron nitride nanotubes (BNNTs) provide an exceptional and sophisticated platform for detecting metal ions with high surface area and remarkable chemical stability. Metal cations tend to bind to the...
4.
A computational study on acetaminophen drug complexed with Mn, Fe, Co, Ni, and Cu ions: structural analysis, electronic properties, and solvent effects
Alirezapour F, Bamdad K, Khanmohammadi A, Ebrahimi N
J Mol Model . 2022 Sep; 28(10):302. PMID: 36066774
In the present research, the cation-π interactions in acetaminophen-M complexes (M = Mn, Fe, Co, Ni, and Cu) are investigated using density functional theory (DFT/ωB97XD) in the gas phase and...
5.
DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses
Mahmood E, Poor Heravi M, Khanmohammadi A, Mohammadi-Aghdam S, Ebadi A, Habibzadeh S
J Mol Model . 2022 Sep; 28(10):297. PMID: 36066691
In this study, the effect of non-covalent interactions on the para-aminosalicylic acid complex is explored using density functional theory (DFT) in the gas phase and the solution. Our findings exhibit...
6.
Electronic sensors for alkali and alkaline earth cations based on Fullerene-C60 and silicon doped on C60 nanocages: a computational study
Hassanpour A, Poor Heravi M, Khanmohammadi A
J Mol Model . 2022 May; 28(6):148. PMID: 35552831
In this research, we have reported the electrical sensitivity of pristine C60 and silicon doped on C60 (SiC59) nanocages as sensors that can be used for detecting the presence of...
7.
The effect of cation-π interactions on the stability and electronic properties of anticancer drug Altretamine: a theoretical study
Alirezapour F, Khanmohammadi A
Acta Crystallogr C Struct Chem . 2020 Oct; 76(Pt 10):982-991. PMID: 33016269
The present work utilizes density functional theory (DFT) calculations to study the influence of cation-π interactions on the electronic properties of the complexes formed by Altretamine [2,4,6-tris(dimethylamino)-1,3,5-triazine], an anticancer drug,...