Computer-aided drug design and virtual screening of targeted combinatorial libraries of mixed-ligand transition metal complexes of 2-butanone thiosemicarbazone

2018 ◽  
Vol 75 ◽  
pp. 178-195 ◽  
Author(s):  
Tahmeena Khan ◽  
Rumana Ahmad ◽  
Iqbal Azad ◽  
Saman Raza ◽  
Seema Joshi ◽  
...  
Keyword(s):  
Virtual Screening ◽  
Transition Metal ◽  
Drug Design ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Combinatorial Libraries ◽  
Mixed Ligand ◽  
Computer Aided Drug Design ◽  
Computer Aided

Antimicrobial and Toxicological Studies of Mixed Ligand Transition Metal Complexes of Schiff Bases

2002 ◽  
Vol 2 (12) ◽  
pp. 797-799 ◽  
Author(s):  
M. Saidul Islam . ◽  
M. Akhter Farooque . ◽  
M.A.K. Bodruddoza . ◽  
M. Ashik Mosaddik . ◽  
M. Shahidul Alam .
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Schiff Bases ◽  
Transition Metal Complexes ◽  
Mixed Ligand ◽  
Toxicological Studies

scholarly journals Studies on Antibacterial and Antifungal Activities and Minimum Inhibitory Concentrations of Mixed Ligand Transition Metal Complexes of Dibasic Acids as Primary and Heterocyclic Bases as Secondary Ligands

1970 ◽  
Vol 46 (3) ◽  
pp. 365-368 ◽  
Author(s):  
MA Akbor ◽  
MS Islam ◽  
N Akhter ◽  
S Ahmed ◽  
S Siraj
Keyword(s):  
Antifungal Activity ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Mixed Ligand ◽  
Diffusion Method ◽  
Antifungal Activities ◽  
Minimum Inhibitory Concentrations ◽  
Antibacterial And Antifungal Activities ◽  
Antibacterial And Antifungal

Mixed ligand (diphenic/ adipic as primary Ligand and quinoline / 8 - hydroxyquinoline as secondary) transition metal complexes of Cobalt (II), Cupper (II), Rhodium (III) and Platinum (IV) ions were synthesized and characterized. Their antibacterial activities against ten bacteria had been evaluated by the disc diffusion method,whilst their antifungal activities against two fungi had been also evaluated by the same method. Minimum inhibitory concentrations (MIC) had been evaluated against six bacteria. The MIC of the complexes against Shigella dysenteriae, Samonella typhi, Streptococcus-β-haemolyticus and Bacillus megaterium were 32 μg/ml; whilst Escherichia coli and Samonella typhi-A the MIC of Co (II) and Pt (IV) were 32μg/ml and those of Cu(II) and Rh(III) complexes were 64 μg/ml. It was found that Cobalt (II), Cupper (II) & Rhodium (III) complexes had pronounced antibacterial and antifungal activities. Platinum (IV) complex had moderate antibacterial and antifungal activity. These values indicate that these are active compounds. Key words: Mixed Ligand; Transition metal; Antimicrobial Activity; Antifungal Activity Minimum Inhibitory Concentrations (MIC) DOI: http://dx.doi.org/10.3329/bjsir.v46i3.9044 BJSIR 2011; 46(3): 365-368

scholarly journals New transition metal complexes with a pendent indole ring: insights into the antifungal activity and mode of action

RSC Advances ◽  
2019 ◽  
Vol 9 (27) ◽  
pp. 15151-15157 ◽  
Author(s):  
Ovas Ahmad Dar ◽  
Shabir Ahmad Lone ◽  
Manzoor Ahmad Malik ◽  
Mohmmad Younus Wani ◽  
Aijaz Ahmad ◽  
...  
Keyword(s):  
Antifungal Activity ◽  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Proton Pump ◽  
Mode Of Action ◽  
Mixed Ligand ◽  
Mixed Ligand Complexes ◽  
Indole Ring ◽  
Significant Proton

Mixed ligand complexes containing a pendent indole showed significant proton pump ATPase targeted antifungal activity.

scholarly journals COMPUTER AIDED DRUG DESIGN: AN OVERVIEW

2018 ◽  
Vol 8 (5) ◽  
pp. 504-509 ◽  
Author(s):  
Surabhi Surabhi ◽  
BK Singh
Keyword(s):  
Molecular Docking ◽  
Drug Discovery ◽  
Virtual Screening ◽  
Drug Design ◽  
Computer Aided Drug Design ◽  
Structure Based Drug Design ◽  
Drug Discovery And Development ◽  
Research Areas ◽  
Computer Aided ◽  
Pharmaceutical Industries

Discovery and development of a new drug is generally known as a very complex process which takes a lot of time and resources. So now a day’s computer aided drug design approaches are used very widely to increase the efficiency of the drug discovery and development course. Various approaches of CADD are evaluated as promising techniques according to their need, in between all these structure-based drug design and ligand-based drug design approaches are known as very efficient and powerful techniques in drug discovery and development. These both methods can be applied with molecular docking to virtual screening for lead identification and optimization. In the recent times computational tools are widely used in pharmaceutical industries and research areas to improve effectiveness and efficacy of drug discovery and development pipeline. In this article we give an overview of computational approaches, which is inventive process of finding novel leads and aid in the process of drug discovery and development research. Keywords: computer aided drug discovery, structure-based drug design, ligand-based drug design, virtual screening and molecular docking

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