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Molecular Docking Q-SAR Studies of Benzimidazole as Antifungal Nucleus
Research Journal of Pharmacy and Technology, 2021Benzimidazole and its derivatives are used in organic synthesis and vermicides or fungicides as they inhibit the action of certain microorganisms. The molecules to be analysed were aligned on an appropriate template, which is considered to be common substructure.
M. Vijey Aanandhi, Anbhule Sachin J
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(Q) SAR study on the metabolic stability of steroidal androgens
Journal of Molecular Graphics and Modelling, 2001Metabolic stability is a key issue in the development of orally active androgens for Partial Androgen Deficiency in Aging Males (PADAM) and male contraception. Rates of metabolism in human hepatocyte suspensions provide useful information on the stability of compounds that undergo a first pass metabolism.
R, Bursi +5 more
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A Mini Review of Mammalian Toxicity (Q)SAR Models
QSAR & Combinatorial Science, 2008AbstractThis paper is based on an in‐depth review performed by the European Chemicals Bureau of the European Commission's Joint Research Centre in support of the development of technical guidance for the implementation of the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH) legislation, and is one of a series of minireviews ...
Ivanka Tsakovska +3 more
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Literature Review of (Q)SAR Modelling of Nanomaterial Toxicity
2017Despite the clear benefits that nanotechnology can bring to various sectors of industry, there are serious concerns about the potential health risks associated with engineered nanomaterials (ENMs), intensified by the limited understanding of what makes ENMs toxic and how to make them safe.
Ceyda, Oksel +4 more
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(Q)SARs for Predicting Effects Relating to Reproductive Toxicity
QSAR & Combinatorial Science, 2008AbstractThis paper reviews the current status of structure‐based methods for predicting adverse reproductive effects in mammals. The methods described include (Quantitative) Structure–Activity Relationships ((Q)SARs), expert systems and the less formalised approaches of read‐across within (chemical) categories.
Mark T. D. Cronin, Andrew P. Worth
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Designing Safer Drugs: (Q)SAR-Based Identification of Mutagens and Carcinogens
Current Topics in Medicinal Chemistry, 2003Mutagenicity and carcinogenicity are chronic effects of primary concern for human health. A unifying approach to their mechanistic understanding is the recognition that many chemicals provoke both effects by electrophilic attack to the biological macromolecules, as such or after metabolism (genotoxic carcinogenicity).
Romualdo, Benigni, Romano, Zito
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The Use of (Q)SAR Methods in the Context of REACH
Toxicology Mechanisms and Methods, 2008ABSTRACT The new European REACH (Registration, Evaluation, Authorisation of Chemicals) legislation requires new information on chemicals, which is tiered according to production volume. The need for data promotes the use of (quantitative) structure-activity relationships ([Q]SARs) in order to meet the European political goal to protect the lives of ...
Uwe, Lahl, Ursula, Gundert-Remy
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Comparative (Q)SAR analysis of benzodiazepine derivatives with different biological activity
European Journal of Medicinal Chemistry, 2015211 compounds containing a benzodiazepine moiety (BZD) and belonging to 4 groups of different biological activity (H - inhibitors of reverse transcriptase of HIV-I virus, A - antiarrhythmic agents, G - ligands of benzodiazepine receptor in GABAergic system and C - cholecystokinin receptor antagonists) were subjected to structure-activity relationship ...
Anna W, Sobańska +3 more
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Use of category approaches, read-across and (Q)SAR: General considerations
Regulatory Toxicology and Pharmacology, 2013Read-across has generated much attention since it may be used as an alternative approach for addressing the information requirements under regulatory programmes, notably the EU's REACH regulation. Read-across approaches are conceptually accepted by ECHA and Member State Authorities (MS) but difficulties remain in applying them consistently in practice.
Grace, Patlewicz +5 more
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Chronic Shedding of a SARS-CoV-2 Alpha Variant Lineage Q.3/Q.4 in Wastewater
2023AbstractCentral Michigan University (CMU) participated in a state-wide SARS-CoV-2 wastewater monitoring program since 2021. Wastewater samples were collected from on-campus sites and nine off-campus wastewater treatment plants servicing small metropolitan and rural communities.
Michael J. Conway +7 more
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