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

2024 - Volume: 8 Issue: 4

Research Article

1. QSAR/ANN approaches and molecular docking applied to calcium channel blockers

Siham Aggoun , Salah Belaıdı , Lazhar Bouchlaleg , Hassan Nour , Oussama Abchır , Samir Chtita , Muneerah Almogren , Majdi Hochlaf

Page: 1-16

Research Article

2. Desing and In Silico Validation of Vitamin B5 and Its Derivatives As A Potential Target Against Cyclophilin A (CyPA)

Jamal Sayeedha Tabassum S , Mohamed Imran Predhanekar , Shabeer T. K. , Attar Kubaib , Salım Meeran I

Page: 17-35

Research Article

3. Theoretical Study of Khellin Derivatives as Corrosion Inhibitors Based on Density Functional Theory (DFT)

Lidia Gusfi Marni , Emriadi Emriadi , Imelda Imelda , Syukri Darajat , Khoiriah Khoiriah

Page: 36-47

Research Article

4. The discovery of new potent VEGFR2 inhibitors for potential anti-angiogenesis agent through a combination of structure-based virtual screening, molecular dynamics simulation and ADME-Tox prediction

Hanane Boucherıt , Amina Merzoug , Ilham Boulhıssa , Asma Mosbah , Abderrahmane Benseguenı

Page: 48-61

Research Article

5. Molecular Docking Study on Tamoxifen and Toremifene's Effects on the Breast Cancer Receptors

Entesar A. Sulliman , Maher A. Ibrahim , Ammar Ibrahim , Raghad Fadhel Jasim

Page: 62-69

Research Article

6. Acacia nilotica (L.) Delile as New Potential Inhibitors of 2019 Novel Coronavirus (Covid-19): Molecular Docking Study

Abdalwahab Ahmed

Page: 70-82

Research Article

7. Novel Tgase2 Allosteric Site Inhibitors: A Computational Study

Sude Sezgin , Gökhan Erdem Şahay , Nilhan Kızılkanat , Hüseyin Saygın Portakal

Page: 83-92

Research Article

8. In silico research on Novel Derivatives of N-(Acetylphenyl)-N-Ferrocenylmethyl-3-nitroaniline as DNA Binding Agents: Using Diverse Computational Methods, including Molecular Docking and ADME/Toxicity Assessment

Asma Yahiaoui , Nabil Benyza , Amel Messai , Touhami Lanez , Lanez Elhafnaoui

Page: 93-102

Research Article

9. Structural and electronic properties of GaN: Ab initio study within LDA and LDA+U methods

Aynure Hadiyeva , Vusala Jafarova

Page: 103-114

Research Article

10. In Silico Evaluation of Molecular Docking, Molecular Dynamic, and ADME Study of New Nabumetone Schiff Base Derivatives (1,3,4-oxadiazole or 1,3,4-thiadiazole ring) Promising Antiproliferation Action Against Lung Cancer

Ahmed Haloob , Monther Faisal , Ayad Mr Raauf

Page: 114-126
RSS

Journal Full Title: Turkish Computational and Theoretical Chemistry


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