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Browsing DIU Faculty Publication by Subject "Molecular dynamics"

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Chemical Descriptors, PASS, Molecular Docking, Molecular Dynamics and ADMET Predictions of Glucopyranoside Derivatives As Inhibitors to Bacteria and Fungi Growth

Kawsar, Sarkar M. A.; Kumer, Ajoy; Munia, Nasrin S.; Hosen, Mohammed A.; Chakma, Unesco; Akash, Shopnil (Daffodil International University, 2022-04-02)

The methyl α-D-glucopyranoside and its derivatives have been estimated as the antimicrobial agents against numerous human pathogens, which is constantly amplifying the attention of medicinal chemists to design new bioactive ...
Codon Usage Bias Correlates With Gene Length in Neurodegeneration Associated Genes

Khandia, Rekha; Saeed, Mohd.; Alharbi, Ahmed M.; Ashraf, Ghulam Md.; Greig, Nigel H.; Kamal, Mohammad Amjad (Daffodil International University, 2022-07-22)

Codon usage analysis is a crucial part of molecular characterization and is used to determine the factors affecting the evolution of a gene. The length of a gene is an important parameter that affects the characteristics ...
Excellent Photocatalytic Properties in 2D ZnO/SiC Van der Waals Hetero-Bilayers

Rashid, Md Al Mamunur; Acter, Thamina; Uddin, Nizam (Springer, 2023-01-11)

The reaction dynamics of excited-state intramolecular proton transfer (ESIPT) tautomerism in 10-hydroxybenzoquinoline (HBQ), 1-hydroxyanthraquinone (HAQ), methyl salicylate (MS) and 4-methyl-2,6-diformyl phenol (MFOH) has ...
Fighting Antibiotic Resistance: New Pyrimidine-Clubbed Benzimidazole Derivatives as Potential DHFR Inhibitors

Haque, M. Akiful; Marathakam, Akash; Rana, Ritesh; Almehmadi, Samar J.; Tambe, Vishal B.; Charde, Manoj S.; Islam, Fahadul; Siddiqui, Falak A.; Culletta, Giulia; Almerico, Anna Maria; Tutone, Marco; Khan, Sharuk L. (MDPI Publications, 2023-01-04)

The present work describes the design and development of seventeen pyrimidine-clubbed benzimidazole derivatives as potential dihydrofolate reductase (DHFR) inhibitors. These compounds were filtered by using ADMET, drug-likeness ...
In Silico Discovery of Noteworthy Multi-targeted Acetylcholinesterase Inhibitors for the Treatment of Alzheimer’s Disease

Raka, Sabreena Chowdhury; Ahamed, Rahad; Rahman, Arifur; Momen, AZM Ruhul (Oriental Pharmacy and Experimental Medicine, SpringerLink, 2019-11-30)

Alzheimer’s disease (AD) is a multifactorial and fatal neurodegenerative disorder. Memory loss and cognitive decline occur due to death of brain cells. Various important hallmarks of AD have reported like deposition of ...

Browsing DIU Faculty Publication by Subject "Molecular dynamics"

Browsing DIU Faculty Publication by Subject "Molecular dynamics"

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