ISSN: 2587-1722
e-ISSN: 2602-3237
Founded: 2017
Publisher: Koray SAYIN

2025 - Volume: 9 Issue: 2

Research Article

1. DFT study of CdSe nanotube doped with Cr atom

Jeyhun Guliyev , Javid Jalilli , Narmin Ismayilova

Page: 1-7

Research Article

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

Ifeanyı Otuokere

Page: 8-18

Research Article

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

Mohammed Abdulaali Sahib , Monther Faisal Mahdi

Page: 19-32

Research Article

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

Page: 33-43

Research Article

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

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

Page: 44-51

Research Article

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

Ahmad Ahmad , Firdayani Firdayani , Irma Kartika

Page: 52-65

Research Article

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

Muhammed Tilahun Muhammed , Cihan Bekteş , Amine İleri

Page: 66-76

Research Article

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

Page: 77-95

Research Article

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

Page: 96-110

Research Article

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

Page: 111-124

Research Article

11. INVESTIGATION OF STRUCTURAL PROPERTIES OF FERROCENE-DERIVED CHALCONE COMPOUNDS

Gamze Tüzün , Koray Sayin

Page: 125-136

Research Article

12. Investigation of the Interaction of ENT Drugs with Target Proteins Using a Molecular Docking Approach

Mansur Doğan

Page: 137-146
RSS

Journal Full Title: Turkish Computational and Theoretical Chemistry


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