Virtual Affinity Fingerprints for Target Fishing: A New Application of Drug Profile Matching

Virtual A ffi nity Fingerprints for Target Fishing : A New Application of 2 Drug

2 Drug Profile Matching 3 Ágnes Peragovics,†,§ Zoltań Simon, Laśzlo ́ Tombor, Balaźs Jelinek,‡,§ Pet́er Haŕi, Paĺ Czobor, 4 and Andraś Maĺnaśi-Csizmadia*,†,‡,§ 5 †Department of Biochemistry, Institute of Biology, Eötvös Lorańd University, Paźmańy Pet́er set́ańy 1/C, H-1117 Budapest, Hungary 6 ‡Molecular Biophysics Research Group, Hungarian Academy of Sciences ELTE, Budapest, Hungary 7 Drugmotif Ltd...

Virtual affinity fingerprints in drug discovery: The Drug Profile Matching method

Kinetoplast DNA: A Promising Drug Target for Treatment of Leishmaniasis

Leishmaniasis is a vector-borne zoonotic disease caused by various species of the genus Leishmania, (trypanosomatidae family) that is transmitted by phlebotomine sandflies. The disease can present in a range of clinical forms, including dermal lesions, metastasis mucocutaneous forms, and fatal visceral forms. In this non-systematic review, we aimed at introducing the role of kinetoplast DNA (kD...

Detection of Drug-Drug Interactions by Modeling Interaction Profile Fingerprints

Drug-drug interactions (DDIs) constitute an important problem in postmarketing pharmacovigilance and in the development of new drugs. The effectiveness or toxicity of a medication could be affected by the co-administration of other drugs that share pharmacokinetic or pharmacodynamic pathways. For this reason, a great effort is being made to develop new methodologies to detect and assess DDIs. I...

A New Modified Particle Filter With Application in Target Tracking

The particle filter (PF) is a novel technique that has sufficiently good estimation results for the nonlinear/non-Gaussian systems. However, PF is inconsistent that caused mainly by loss of particle diversity in resampling step and unknown a priori knowledge of the noise statistics. This paper introduces a new modified particle filter called adaptive unscented particle filter (AUPF) to overcome th...