Erken Görünüm

Cilt: 9 Sayı: 2

Yıl: 2025

Research Article

Araştırma Makalesi

1. DFT study of CdSe nanotube doped with Cr atom

Jeyhun Guliyev , Javid Jalilli , Narmin Ismayilova

Sayfa : 1-7

Araştırma Makalesi

2. SARS-COV-2 Inhibitors from Azadirachta indica Leaves: Chemical Composition, Molecular Docking and Quantum Chemical Studies

Ifeanyı Otuokere

Sayfa : 8-18

Araştırma Makalesi

3. Identification of Indole Derivatives as Selective Cyclooxygenase-2 Inhibitors by Virtual Screening and Molecular Dynamic Simulation

Mohammed Abdulaali Sahib , Monther Faisal Mahdi

Sayfa : 19-32

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4. Molecular docking Screening, in silico drug design and ADME prediction of 10-amidinobenzonaphthyridines as potent inhibitors of Plasmodium falciparum Lactate Dehydrogenase

Aliyu Wappah Mahmud , Muhammad Tukur Ibrahim , Usman Abdullahi , Ahmad Mustapha

Sayfa : 33-43

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5. DFT Studies of Suitability of Nanocomposite (ZnO/TiO2@polythiophene) in Photocatalyst Application

Damilola Ogunleye , Richard Adeleke , Muhammad Hatim Garuba , Abdullateef Salaudeen

Sayfa : 44-51

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6. Virtual Screening Bioactive Compounds of Rheum Genus in Inhibiting Steatohepatitis: In silico studies

Ahmad Ahmad , Firdayani Firdayani , Irma Kartika

Sayfa : 52-65

Araştırma Makalesi

7. Computational Insight into the Dual AXL/MerTK Inhibition Potential of Some AXL Inhibitors

Muhammed Tilahun Muhammed , Cihan Bekteş , Amine İleri

Sayfa : 66-76

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8. Theoretical Study of Structure and Acidity of Uric Acid and its Metal Complexes: M(UA)+n (M= Li+, Be++, Na+, Mg++, K+, Ca++) and M(UA)2+n (M= Zn+2, Cd+2, Cu+, Ag+)

Meriem Hafied , Mohammed Aichi

Sayfa : 77-95

Araştırma Makalesi

9. Unlocking the therapeutic potential of nolatrexed in glioblastoma multiforme through quantum mechanics, network pharmacology, molecular docking and ADMET analysis.

Aswin K , Shabna Roupal Morais

Sayfa : 96-110

Araştırma Makalesi

10. In Silico Assessment of the Insecticidal and Herbicidal Potential of Silichristin Isolated from Silybum Marianum: Pharmacokinetic-Toxicity properties, Molecular Docking, and Molecular Dynamics

Touhami Lanez , Regadia Aissaoui , Mohamed Nadjib Rebizi , Khadidja Boussaid , Lanez Elhafnaoui

Sayfa : 111-124

Journal Full Title: Turkish Computational and Theoretical Chemistry


Journal Abbreviated Title: Turkish Comp Theo Chem (TC&TC)