Erken Görünüm

Cilt: 9 Sayı: 4

Yıl: 2025

Research Article

Araştırma Makalesi

1. Computational Discovery of New HDAC2 Inhibitors by High Throughput Virtual Screening, Molecular Docking, MM-GBSA, and Molecular Dynamic Simulation

Ayad Al-hamashi , Mazen Mohammed , Ali Al-samyda , Israa Kadhim Mohammed

Sayfa : 1-14

Araştırma Makalesi

2. In Silico Molecular Modelling and Dynamic Simulations, ADME Parameters Predictions of new Naproxen Analogues Containing 1,3,4-Oxadiazole as Anti-inflammatory Agents

Farooq Algaragoolee , Ayad Kareem , Shakir Mahmood Alwan

Sayfa : 15-28

Araştırma Makalesi

3. Kinetic DFT study of the mechanism of the [3+2] reaction of a five-membered cyclic nitrone with 2-butene isomers

Boulanouar Messaoudı

Sayfa : 29-39

Araştırma Makalesi

4. Exploring the Inhibitory Potential of Podolactone B against Human Acetylcholinesterase: A Docking Study

Ashif Bahrudeen , Naveen Kumar Rajasekaran , Chetan Ashok , J Srikanth , Logeshwari B , Sivaraman Dhanasekaran , Mahendran Sekar , Ling Shing Wong , Vetriselvan Subramaniyan

Sayfa : 40-53

Araştırma Makalesi

5. Investigation of the Effect of Vanillin-Based Compound Derivatives Against Breast Cancer by Molecular Docking Method and Computational Chemistry, ADMET Analysis

Özlem İşcan

Sayfa : 54-63

Araştırma Makalesi

6. In Silico Molecular Docking, Molecular Dynamics Simulation, and Pharmacokinetic prediction of Novel N-(2-(4-oxo-2-phenyl quinazoline-3(4H)-yl) Derivatives with Enhanced Anti-proliferative Activity

Ali Hussein , Monther Faisal

Sayfa : 64-77

Araştırma Makalesi

7. An in silico investigation of pyrazole, indazole, and imidazopyridine analogs as inhibitors for SRC tyrosine kinase, key enzyme regulating malignancies in various tumors

Rashmi P

Sayfa : 78-105

Araştırma Makalesi

8. Lucilia sericata Lucifensin as a Therapeutic Inhibitor: Protein Structure Predictions and Effects on JAK Kinase and PDE-4 in Atopic Dermatitis

Sibel Kaymak , Hatice Tosyagülü Çelik , Nilufer Vural

Sayfa : 106-116

Araştırma Makalesi

9. Similarity of periods and periodicity in groups of periodic tables of chemical elements: Periodic law

Isatai Nurlybayev , Bazarkhan Imangaliyeva , Gulnara Beketova , Gulsim Zhaumitova , Shynar Karassayeva

Sayfa : 117-123
Kapak Resmi İndir

Journal Full Title: Turkish Computational and Theoretical Chemistry


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