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Forthcoming

Volume: 9 Issue: 2

Year: 2025

Research Article

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
Assoc. Prof. Burak TÜZÜN SİVAS CUMHURİYET ÜNİVERSİTESİ, SİVAS TEKNİK BİLİMLER MESLEK YÜKSEKOKULU 0000-0002-0420-2043
Theoretical and Computational Chemistry, Chemical Sciences
Prof. Dr. Koray SAYİN Department of Chemistry, Faculty of Science, Sivas Cumhuriyet University 58140 Sivas/TURKEY 0000-0001-6648-5010
Theoretical and Computational Chemistry, Inorganic Chemistry, Chemical Sciences
Assoc. Prof. Dr. Sultan ERKAN Chemistry and Chemical Processing Technology, Yıldızeli Vocational High School, Cumhuriyet University, Sivas/TURKEY
Organometallic Chemistry, Bioinorganic Chemistry, Chemical Sciences
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Journal Full Title: Turkish Computational and Theoretical Chemistry


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