نتایج جستجو برای: admet

تعداد نتایج: 776  

2014
Ankit Kelotra Sadashiv M Gokhale Seema Kelotra Vaidehi Mukadam Komal Nagwanshi Srinivas Bandaru Anuraj Nayarisseri Anil Bidwai

Psoriasis is one of the most prevalent chronic inflammatory diseases of the skin. The Wnt pathways have been documented to play essential role in stem cell self-renewal and keratinocyte differentiation in the skin. Antagonizing the Wnt5a protein would emerge as a novel therapeutics in psoriasis treatment. In this view, we have developed and characterized series of compounds by attaching varied ...

2013
Jayasimha Rayalu Daddam Muralidhara Rao Dowlathabad Subba Rao Dakinedi

Ayurvedha and Herbal medicine are two important forms of alternative medicine that are widely available. Medicinal plants have disease curing properties and this is due to the compounds presents in the extracts. This work is mainly concerned with the identification of the therapeutic properties of Indian medicinal plant extracts. So we identified the compounds of different medicinal plants like...

Journal: :Journal of computer-aided molecular design 2005
Dmitry Filimonov Vladimir Poroikov

Both society and industry are interested in increasing the safety of pharmaceuticals. Potentially dangerous compounds could be filtered out at early stages of R&D by computer prediction of biological activity and ADMET characteristics. Accuracy of such predictions strongly depends on the quality & quantity of information contained in a training set. Suggestion that some relevant chemical inform...

Journal: :Journal of cheminformatics 2018
Maris Lapins Staffan Arvidsson Samuel Lampa Arvid Berg Wesley Schaal Jonathan Alvarsson Ola Spjuth

Lipophilicity is a major determinant of ADMET properties and overall suitability of drug candidates. We have developed large-scale models to predict water-octanol distribution coefficient (logD) for chemical compounds, aiding drug discovery projects. Using ACD/logD data for 1.6 million compounds from the ChEMBL database, models are created and evaluated by a support-vector machine with a linear...

2014
JUNIE B. BILLONES MARIA CONSTANCIA O. CARRILLO VOLTAIRE G. ORGANO STEPHANI JOY Y. MACALINO INNO A. EMNACEN

The emergence of drug resistant strains of Mycobacterium tuberculosis(Mtb) has spurred the search for new therapeutic targets for the development of more efficient anti-tuberculosis drugs. Lipoate protein ligase B (LipB), an enzyme involved in the biosynthesis of the lipoic acid cofactor, is considered as a very promising drug target in M. tuberculosis, since the bacteria has no known substitut...

2015
Tahmina Haque

This accounts introduces unique characteristics by adopting the acyclic diene metathesis (ADMET) polymerization for synthesis of conjugated polymers, poly(arylene vinylene)s, known as promising molecular electronics. The method is more suitable than the other methods in terms of atom efficiency affording defect-free, stereo-regular (exclusive trans) polymers with well-defined chain ends; the re...

2000
Elena Poletaeva

We describe representations of certain superconformal algebras in the semi-infinite Weil complex related to the loop algebra of a complex finite-dimensional Lie algebra and in the semi-infinite cohomology. We show that in the case where the Lie algebra is endowed with a nondegenerate invariant symmetric bilinear form, the relative semi-infinite cohomology of the loop algebra has a structure, wh...

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