Green Journals

Identification of 2-(piperazine _1_yl) _H_benzo[d] imidazole derivatives as a potent EGFR inhibitor by Virtual Screening and Molecular Dynamic Simulation

Samer Jasim, Amani Amer Tawfeeq, Wathiq Al-hachami et al.

2026-5-17 Vol. 10 Issue 2 Pages 94-103

DOI: 10.33435/tcandtc.1632516

Computational Insights into the Structure and Mechanism of Encapsulating Mangostin Derivatives in Crystalline Cucurbituril Architectures to Improve Solubility

Nurisyah Nurisyah, Asyhari Asyikin, Dwi Syah Fitra Ramadhan et al.

2026-5-17 Vol. 10 Issue 2 Pages 66-80

DOI: 10.33435/tcandtc.1624784

The Role of Quantum and Molecular Mechanics in Drug Design: Advanced Hybrid Techniques for Enhanced Therapeutic Precision.

Mohammed Hasan, Aya Mohammed

2026-5-17 Vol. 10 Issue 2 Pages 20-39

DOI: 10.33435/tcandtc.1592506

COMPUTATIONAL INVESTIGATION OF THE EFFECT OF LICHEN METABOLITES ON THE INHIBITION OF EPIDERMAL GROWTH FACTOR RESEPTOR L858R MUTATION

Özlem Alamoody, Ahmed Ali Mohamed Al-amoody, Çiğdem Sezer Zhmurov et al.

2026-5-17 Vol. 10 Issue 2 Pages 104-115

DOI: 10.33435/tcandtc.1632731

Molecular Docking, Dynamics Simulation and ADMET Prediction of Harmicine Derivatives as Plasmodial Falcipain-2 Inhibitors

Muh. Arfandy Gunawan, Herlina Rasyid, Asmawati Asmawati et al.

2026-5-17 Vol. 10 Issue 2 Pages 54-65

DOI: 10.33435/tcandtc.1622970

Spectroscopic analysis, chemical reactivity, and nonlinear optical properties of (Z)-3-N-(methyl)-2-N’-(4-methoxyphenylimino) Thiazolidin-4-one: DFT/TD-DFT approach

Mansour Azayez, Youcef Megrouss, Yahıaouı Salem et al.

2026-5-17 Vol. 10 Issue 2 Pages 40-53

DOI: 10.33435/tcandtc.1581852

In Silico Molecular Docking and Dynamics Analysis of Beluntas (Pluchea indica) Metabolites Against Streptococcus mutans Sortase A as a Potential Anti-Caries Agent

Asmawati Asmawati, Ratnasari Dewi, Dwi Syah Fitra Ramadhan et al.

2026-5-17 Vol. 10 Issue 2 Pages 116-124

DOI: 10.33435/tcandtc.1633561

STANDARD ENTHALPIES OF FORMATION OF ORTHO- AND META-SUBSTITUTED PHENYL NITROSO OXIDES FROM HOMODESMOTIC AND G4 MEASUREMENTS

Sergey Khursan, Aidar Yarullin

2026-5-17 Vol. 10 Issue 2 Pages 81-93

DOI: 10.33435/tcandtc.1627564

In vivo Antidiabetic Effect of White Frangipani (Plumeria acuminata L.) and Red Frangipani (Plumeria rubra L.) Flower Extracts and Computational Analysis on SGLT-2 Receptor

Nikeherpianti Lolok, Putu Sintya Permani, Dita Rachmawati et al.

2026-5-17 Vol. 10 Issue 2 Pages 1-19

DOI: 10.33435/tcandtc.1631040

Harnessing the Antiviral Potential of Hypothetical Azo Curcumins: A Computational Docking Exploration Targeting the Main Protease of SARS-CoV-2

Karuppiah Loganathan, Paul Daniel Jebaraj, Michael Purushothaman

2026-5-17 Vol. 10 Issue 2 Pages 132-143

DOI: 10.33435/tcandtc.1717989

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