scholarly journals In silico and in vitro Evaluation of new chalcon compounds as anti-leishmania donovani promastigoat; molecular modeling approach

2019 ◽  
Vol 12 (1) ◽  
pp. 143-144 ◽  
Author(s):  
M. Saeed ◽  
M. Alhussine
Keyword(s):  
Molecular Modeling ◽  
In Silico ◽  
Leishmania Donovani ◽  
In Vitro Evaluation ◽  
Modeling Approach

scholarly journals 2-chloro-5-(1-hydroxy-3-oxoisoindolin-1-yl)benzenesulfonamide Derivatives as Potential Urease Inhibitors: Synthesis, In-vitro and Molecular Modeling Approach

2021 ◽  
Author(s):  
Sajid Irshad ◽  
Saeed Ahmad ◽  
Mohsin Abbas khan ◽  
Muhammad Sajjad Bilal ◽  
syeda Abida ejaz
Keyword(s):  
Peptic Ulcer ◽  
Hepatic Encephalopathy ◽  
Molecular Modeling ◽  
Schiff Bases ◽  
In Silico ◽  
Urease Activity ◽  
Urease Inhibitors ◽  
Modeling Approach ◽  
Lead Candidate

Abstract The present work is focused on the identification of 2-chloro-5-(1-hydroxy-3-oxoisoindolin-1-yl) benzenesulfonamides (5a-4k) Schiff bases as potent urease inhibitors. The Rationale behind the study was to introduce such lead candidate with lower micro-molar inhibitory values for the treatment of GIT disorders including gastric and peptic ulcer and hepatic encephalopathy. The synthesized compounds exhibited excellent anti-urease activity which was further supported by in-silico investigations. Therefore it can be suggested that these derivatives can be considered as a potential lead in future for synthesis of potent urease inhibitors.

scholarly journals Design, synthesis, in silico studies and in vitro evaluation of isatin-pyridine oximes hybrids as novel acetylcholinesterase reactivators

2021 ◽  
Vol 36 (1) ◽  
pp. 1370-1377
Author(s):  
Daniel A. S. Kitagawa ◽  
Rafael B. Rodrigues ◽  
Thiago N. Silva ◽  
Wellington V. dos Santos ◽  
Vinicius C. V. da Rocha ◽  
...  
Keyword(s):  
In Silico ◽  
Design Synthesis ◽  
In Vitro Evaluation ◽  
In Silico Studies ◽  
Acetylcholinesterase Reactivators

Synthesis, structures, drug-likeness, in vitro evaluation and in silico docking on novel N-benzoyl-N′-phenyl thiourea derivatives

2019 ◽  
Vol 1176 ◽  
pp. 335-345 ◽  
Author(s):  
Yu Zhang ◽  
Xing Zhang ◽  
Lei Qiao ◽  
Zimei Ding ◽  
Xiaojing Hang ◽  
...  
Keyword(s):  
In Silico ◽  
Thiourea Derivatives ◽  
In Vitro Evaluation ◽  
In Silico Docking

Synthesis of novel guttiferone A derivatives: In-vitro evaluation toward Plasmodium falciparum, Trypanosoma brucei and Leishmania donovani

2013 ◽  
Vol 65 ◽  
pp. 284-294 ◽  
Author(s):  
Yann Fromentin ◽  
Nicolas Gaboriaud-Kolar ◽  
Bruno Ndjakou Lenta ◽  
Jean Duplex Wansi ◽  
Didier Buisson ◽  
...  
Keyword(s):  
Plasmodium Falciparum ◽  
Trypanosoma Brucei ◽  
Leishmania Donovani ◽  
In Vitro Evaluation

scholarly journals Rational in silico design of novel α-glucosidase inhibitory peptides and in vitro evaluation of promising candidates

2018 ◽  
Vol 107 ◽  
pp. 234-242 ◽  
Author(s):  
Mohammed Auwal Ibrahim ◽  
Megan J. Bester ◽  
Albert W. Neitz ◽  
Anabella R.M. Gaspar
Keyword(s):  
In Silico ◽  
In Vitro Evaluation ◽  
In Silico Design ◽  
Inhibitory Peptides

In silico and in vitro evaluation of efflux pumps inhibition of α,β-amyrin

2021 ◽  
pp. 1-15
Author(s):  
Raissa C. Oliveira ◽  
Paulo N. Bandeira ◽  
Telma L. G. Lemos ◽  
Hélcio S. dos Santos ◽  
Jackelyne R. Scherf ◽  
...  
Keyword(s):  
In Silico ◽  
Efflux Pumps ◽  
In Vitro Evaluation

Synthesis of 6‐[4‐(4‐Propoxyphenyl)piperazin‐1‐yl]‐9 H ‐purine Derivatives as Antimycobacterial and Antifungal Agents: In Vitro Evaluation and In Silico Study

2020 ◽  
Vol 17 (5) ◽  
Author(s):  
Afra Quasar A. Nadaf ◽  
Mahesh S. Najare ◽  
Manjunatha Garbhagudi ◽  
Shivaraj Mantur ◽  
Manjunath G. Sunagar ◽  
...  
Keyword(s):  
In Silico ◽  
Antifungal Agents ◽  
Purine Derivatives ◽  
In Vitro Evaluation ◽  
In Silico Study
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