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50 articles for “quantitative structure”
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Research ArticleOpen accessPhrase in the titleTheoretically Predicted Descriptors Based Quantitative Structure Activity Relationship Study of the Activity of Acridines Against B-16 MelanomaBahjat A. Saeed, Rita S. Elias, Sadiq M-H. Ismael, Kawkab A. HussainProblem statement: The probability of success and reducing time and coast in drug discovery process could be increased on the basis of QSAR techniques. The study involves the QSAR investigation of 20 bioactive acridines that have activity against Approach: Molecular descriptors, total energy, van der Waals volume, molecular volume, HOMO energy, HOMO-LUMO energy gap, polarizability, refractivity, bond angle of C8-N9-C2 … …American Journal of Applied Sciences, Vol. 8, Issue 8 · 18 Jul 2011 · 7,695 accessesView PDFCite
Research ArticleOpen accessPhrase in the titleUnbalance Quantitative Structure Activity Relationship Problem Reduction in Drug DesignD. Pugazhenthi, S. P. RajagopalanProblem statement: Activities of drug molecules can be predicted by Quantitative Structure Activity Relationship (QSAR) models, which overcome the disadvantage of high cost and long cycle by employing traditional experimental methods. With the fact that number of drug molecules with positive activity is rather fewer than that with negatives, it is important to predict molecular activities considering such an unbalanced … …Journal of Computer Science, Vol. 5, Issue 10 · 31 Oct 2009 · 6,707 accessesView PDFCite
Research ArticleOpen accessPhrase in the titleDensity Functional Theory Based Quantitative Structure Activity Relationship Study of 2,5-Bis(1-Aziridinyl)-p-Benzoquinones with Lymphoid LeukemiaBahjat A. Saeed, Rita S. EliasProblem statement: QSAR techniques increase the probability of success and reduce time and coast in drug discovery process. The study presented QSAR investigation on 32 bioactive aziridinylbenzoquinones that have activity against lymphoid leukemia. Approach: Molecular descriptors, molecular weight, total energy, hardness, chemical potential, electrophilicity index, HOMO and LUMO energies were calculated. Initial geometry optimizations were carried out with the AM1 … …American Journal of Applied Sciences, Vol. 7, Issue 7 · 31 Jul 2010 · 7,216 accessesView PDFCite
Research ArticleOpen accessPhrase in the titleAntiviral and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from CurcuminBahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias, Najim A. Al-MasoudiProblem statement: Pyridones are known to have variety of biological activities like antitumor, antibacterial, anti-inflammatory and antimalarial activities. This study presents antiviral evaluation of dihydropyridones derived from curcumin, as well as curcumin for comparison. Approach: The compounds evaluated for their in vitro antiviral activities against the viruses: HIV-1, Bovin viral Diarrhea, Yellow Fever, Reovirus 1, Herpesvirus 1, Vaccinia, Vescular Stomatitis, … …American Journal of Immunology, Vol. 6, Issue 2 · 30 Jun 2010 · 8,154 accessesView PDFCite
Research ArticleOpen accessPhrase in the titleAntitumor and Quantitative Structure Activity Relationship Study for Dihydropyridones Derived from CurcuminBahjat A. Saeed, Kawkab Y. Saour, Rita S. Elias et al.Problem statement: Pyridones are known to have variety of biological activities like antitumor, antibacterial, antiinflamatory and antimalarial activities. This study presented antitumor evaluation of dihydropyridones derived from curcumin, as well as curcumin for comparison. Approach: The compounds evaluated for a preliminary estimation of the in vitro tumor inhibiting activity against 11 of tumor cell lines by using Microculture Tetrazolium assay … …American Journal of Immunology, Vol. 6, Issue 1 · 31 Mar 2010 · 8,265 accessesView PDFCite
Case ReportOpen accessIn the keywordsSocial Psychology and Performative Interventions in Human Systems. The GENERATIVE MethodAlessio Nencini, Alessandro Meneghini, Marco PratiThe purpose of this paper is to describe the GENERATIVE method, a methodology for promoting change in human systems (i.e., contexts involving human interactions, such as organizations, communities, institutions). The first part of the paper is focused on the description of the interactionist and constructionist epistemological background adopted. The second is dedicated to the presentation of human systems as socially … …Journal of Social Sciences, Vol. 11, Issue 1 · 29 May 2015 · 7,420 accessesView PDFCite
Research ArticleOpen accessIn the keywordsAn Enhancement of Bayesian Inference Network for Ligand-Based Virtual Screening using Features SelectionAli Ahmed, Ammar Abdo, Naomie SalimProblem statement: Similarity based Virtual Screening (VS) deals with a large amount of data containing irrelevant and/or redundant fragments or features. Recent use of Bayesian network as an alternative for existing tools for similarity based VS has received noticeable attention of the researchers in the field of chemoinformatics. Approach: To this end, different models of Bayesian network have been developed. … …American Journal of Applied Sciences, Vol. 8, Issue 4 · 18 Apr 2011 · 7,724 accessesView PDFCite
Research ArticleOpen accessIn the abstractComparative Characterization of Small Mammal Communities in Forest-Steppe and Steppe Landscapes of the South of Western and Central SiberiaZarina Mukhtarovna Sergazinova, Alexander Vladimirovich Makarov, Aliya Toleuzhanovna Toleuzhanova et al.This study analyzes the fauna, population, and distribution patterns of small mammals of forest-steppe and steppe landscapes of the south of Western and Central Siberia for the period between 1998 and 2021 on the basis of literature data and authors' own materials. Most of these studies were local in nature, while our work is characterized by a generalizing and comparative … …OnLine Journal of Biological Sciences, Vol. 25, Issue 1 · 4 Dec 2024 · 4,556 accessesView PDFCite
Research ArticleOpen accessIn the abstractClimate-Driven Productivity Responses and Implications for Genetic Adaptation and Breeding of Boreal Trees in KazakhstanZhadyra Baigazakova, Kuralay Mazarzhanova, Asset Satayev et al.Kazakhstan’s boreal and forest-steppe forests form the southern ecotonal edge of the West Siberian taiga, where relatively small changes in heat and moisture can trigger disproportionate impacts on tree growth, mortality, and regeneration. Although forests cover only ~4% of Kazakhstan, they provide critical ecosystem services: stabilizing hydrological regimes, buffering microclimates, protecting agricultural lands from wind and water erosion, and supporting … …OnLine Journal of Biological Sciences, Vol. 26, Issue 3 · 10 Aug 2026 · 711 accessesView PDFCite
Research ArticleOpen accessIn the abstractEidonomy of Apis mellifera Workers and Drones in ApiariesAnuarbek Temirbekovich Bissembayev, Natalia Evgenievna Zemskova, Vener Nurullovich Sattarov et al.In modern ecosystems, the increasing anthropogenic load, the absence or an insufficient number of scientifically based integrated programs and measures for the reproduction and distribution of local bee populations, as well as the preservation of their habitat territories; unsystematic hybridization leads to the transformation of the quantitative and qualitative composition of bees in the regions. In connection with the presented … …OnLine Journal of Biological Sciences, Vol. 23, Issue 2 · 16 Mar 2023 · 5,111 accessesView PDFCite