Results 21 to 30 of about 94,628 (218)
Acta Pharmaceutica, 2019 The impact of the selected entactogens and their o-quinone metabolites on the environment was explored in QSAR studies by the use of predicted molecular descriptors, ADMET properties and environmental toxicity parameters, i.e., acute toxicity in ...
Takač Milena Jadrijević-Mladar +2 more
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Perturbation of eigenvalues of matrix pencils and optimal assignment problem [PDF]
, 2004 We consider a matrix pencil whose coefficients depend on a positive parameter $\epsilon$, and have asymptotic equivalents of the form $a\epsilon^A$ when $\epsilon$ goes to zero, where the leading coefficient $a$ is complex, and the leading exponent $A ...
Baccelli +13 more
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Orbital: The Electronic Journal of Chemistry, 2021 The purpose of the paper is to discuss the various methods and computational approaches, which are used in computer-aided drug design. For this reason, pyrimidine and azaindole derivatives have been used to study the inhibitory activity of CaMKKII. It is
Halima HAJJI +6 more
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Structure based de novo design of IspD inhibitors as anti-tubercular agents [PDF]
, 2012 Tuberculosis is one of the leading contagious diseases, caused by Mycobacterium tuberculosis. Despite improvements in anti-tubercular agents, it remains one of the most prevalent infectious diseases worldwide, responsible for a total of 1.6 million ...
Abhay T. Sangamwar +4 more
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Molecules, 2021 This study aims to investigate the potential analgesic properties of the crude extract of Monochoria hastata (MH) leaves using in vivo experiments and in silico analysis.
Md Mazedul Haq +6 more
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Triazolinedione-'clicked' poly(phosphoester)s : systematic adjustment of thermal properties [PDF]
, 2017 The thermal properties of halogen-free flame retardant poly(phosphoester)s from acyclic diene metathesis polycondensation have been optimized by a systematic post-modification using 1,2,4-triazoline- 3,5-dione derivatives.
Becker, Greta +4 more
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Exploring in silico drug design and pharmacokinetics study for identification of potent antidepressant agents [PDF]
Journal of Chemistry Letters, 2020 In furtherance to our previous study, in silico drug design and pharmacokinetics study were employed on some arylpiperazine derivatives as inhibitors of serotonin transporter (SERT) for identification of potential antidepressant agents.
Sabitu Babatunde Olasupo +3 more
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N-methyl-N-((1-methyl-5-(3-(1-(2-methylbenzyl)piperidin-4-yl)propoxy)-1H-indol-2-yl)methyl)prop-2-yn-1-amine, a new cholinesterase and monoamine oxidase dual inhibitor [PDF]
, 2014 On the basis of N-((5-(3-(1-benzylpiperidin-4-yl)propoxy)-1-methyl-1H-indol-2-yl)methyl)-N-methylprop-2-yn-1-amine (II, ASS234) and QSAR predictions, in this work we have designed, synthesized, and evaluated a number of new indole derivatives from which ...
Agbaba, D. +13 more
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Journal of Advanced Biotechnology and Experimental TherapeuticsSARS-CoV-2 (severe acute respiratory syndrome coronavirus 2) is the aetiological agent behind the current pandemic of coronavirus disease 2019 (COVID-19).
Md. Chayan Ali +5 more
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Inhibition of IKKβ by celastrol and its analogues – an in silico and in vitro approach
Pharmaceutical Biology, 2017 Context: Alzheimer’s disease (AD) is the most common form of dementia affecting the aged population and neuroinflammation is one of the most observed AD pathologies.
Karpagam Veerappan +4 more
doaj +1 more source