scholarly journals POTENT UREASE INHIBITORS: DESIGN, SYNTHESIS, MOLECULAR DOCKING AND IN-SILICO ADME EVALUATION OF DIHYDROPYRIMIDINE PHTHALIMIDE HYBRIDS

2021 ◽  
Vol 64 (2) ◽  
pp. 205-223
Author(s):  
Ahmed Mourad
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Urease Inhibitors ◽  
Design Synthesis

Isoindolin-1-one derivatives as urease inhibitors: Design, synthesis, biological evaluation, molecular docking and in-silico ADME evaluation

2019 ◽  
Vol 87 ◽  
pp. 1-11 ◽  
Author(s):  
Fariba Peytam ◽  
Mehdi Adib ◽  
Shabnam Mahernia ◽  
Mahmoud Rahmanian-Jazi ◽  
Mehdi Jahani ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Biological Evaluation ◽  
Urease Inhibitors ◽  
Design Synthesis

Design, synthesis, molecular docking, in silico ADMET profile and anticancer evaluations of sulfonamide endowed with hydrazone-coupled derivatives as VEGFR-2 inhibitors

2021 ◽  
Vol 108 ◽  
pp. 104669
Author(s):  
Asmaa M Sayed ◽  
Fatma A. Taher ◽  
Mohammad R.K. Abdel-Samad ◽  
Mohamed S.A. El-Gaby ◽  
Khaled El‐Adl ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Design Synthesis ◽  
In Silico Admet

Hetero-substituted sulfonamido-benzamide hybrids as glucokinase activators: Design, synthesis, molecular docking and in-silico ADME evaluation

2020 ◽  
Vol 1222 ◽  
pp. 128916 ◽  
Author(s):  
Saurabh C. Khadse ◽  
Nikhil D. Amnerkar ◽  
Krushna S. Dighole ◽  
Ashish M. Dhote ◽  
Vikas R. Patil ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Design Synthesis ◽  
Glucokinase Activators

Semicarbazone derivatives as urease inhibitors: Synthesis, biological evaluation, molecular docking studies and in-silico ADME evaluation

2018 ◽  
Vol 79 ◽  
pp. 19-26 ◽  
Author(s):  
Syeda Uroos Qazi ◽  
Shafiq Ur Rahman ◽  
Asia Naz Awan ◽  
Mariya al-Rashida ◽  
Rima D. Alharthy ◽  
...  
Keyword(s):  
Molecular Docking ◽  
In Silico ◽  
Docking Studies ◽  
Biological Evaluation ◽  
Urease Inhibitors ◽  
Molecular Docking Studies

scholarly journals Design, synthesis and molecular docking of novel triazole derivatives as potential CoV helicase inhibitors

2020 ◽  
Vol 70 (2) ◽  
pp. 145-159 ◽  
Author(s):  
Nashwa Hafez Zaher ◽  
Mohammed Ismail Mostafa ◽  
Abdullah Yousef Altaher
Keyword(s):  
Molecular Docking ◽  
Middle East ◽  
Binding Site ◽  
Spectral Data ◽  
In Silico ◽  
Helicase Activity ◽  
Design Synthesis ◽  
Sar Studies ◽  
Experimental Findings ◽  
New Compounds

AbstractMiddle East respiratory syndrome coronavirus (MERS-CoV) had emerged and spread because of the worldwide travel and inefficient healthcare provided for the infected patients in several countries. Herein we investigated the anti-MERS-CoV activity of newly synthesized sixteen halogenated triazole compounds through the inhibition of helicase activity using the FRET assay. All new compounds underwent justification for their target structures via microanalytical and spectral data. SAR studies were performed. Biological results revealed that the most potent compounds were 4-(cyclopent-1-en-3-ylamino)-5-(2-(4-iodophenyl)hydrazinyl)-4H-1,2,4-triazole-3-thiol (16) and 4-(cyclopent-1-en-3-ylamino)-5-[2-(4-chlorophenyl)hydrazinyl]-4H-1,2,4-triazole-3-thiol (12). In silico molecular docking of the most potent compounds was performed to the active binding site of MERS-CoV helicase nsp13. Molecular docking results are in agreement with experimental findings.

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