Physical and Molecular Properties of Agrochemicals: An Analysis of Screen Inputs, Hits, Leads, and Products

Clarke, Eric D.; Delaney, John S.

doi:10.2533/000942903777678641

Cited by 92 publications

(85 citation statements)

References 5 publications

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“…This is caused by the requirement to agrochemicals to resist to metabolic attack by the pest species. [30,40,41] Nevertheless, it can be stated that the conclusions reached in all these studies were very similar to each other and to the Lipinski's work. Leads are usually smaller and less lipophilic than launched active ingredients; MW and lipophilicity generally increase during the lead-to-drug optimization process.…”

Section: Similarity Of Drugs and Agrochemicalsmentioning

confidence: 60%

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Potential of agricultural fungicides for antifungal drug discovery

Jampílek

2015

Expert Opinion on Drug Discovery

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While it is true that only a small fraction of fungal species are responsible for human mycoses, the increasing prevalence of fungal diseases has highlighted an urgent need to develop new antifungal drugs, especially for systemic administration. This contribution focuses on the similarities between agricultural fungicides and drugs. Inorganic, organometallic and organic compounds can be found amongst agricultural fungicides. Furthermore, fungicides are designed and developed in a similar fashion to drugs based on similar rules and guidelines, with fungicides also having to meet similar criteria of lead-likeness and/or drug-likeness. Modern approved specific-target fungicides are well-characterized entities with a proposed structureactivity relationships hypothesis and a defined mode of action. Extensive toxicological evaluation, including mammalian toxicology assays, is performed during the whole discovery and development process. Thus modern agrochemical research (design of modern agrochemicals) comes close to drug design, discovery and development. Therefore, modern specific-target fungicides represent excellent lead-like structures/models for novel drug design and development.

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Section: Similarity Of Drugs and Agrochemicalsmentioning

confidence: 60%

“…[40] Clarke [41] added other molecular properties known to influence absorption and distribution of agrochemicals and published it as the Rule of Two for lead progression. Hao et al [42] published recently a new comparative study on the constitutive properties of newly marketed pesticides.…”

Section: Similarity Of Drugs and Agrochemicalsmentioning

confidence: 99%

Potential of agricultural fungicides for antifungal drug discovery

Jampílek

2015

Expert Opinion on Drug Discovery

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“…A similar property analysis was performed on the entire collection of commercial pesticides by Clarke and Delaney of Syngenta. [23,24] The latter report is interesting to review since it includes a property analysis not only of commercial pesticides, but also of proprietary sets of screening inputs, in vivo actives, and pesticide leads.…”

Section: Cost Of Goodsmentioning

confidence: 99%

Discovery to Development: Insecticides for Malaria Vector Control

Turner¹,

Ruscoe

Perrior

2016

Chimia

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This report provides an outline of a program for the discovery of new public health insecticides for malaria vector control. The status of malaria vector control is first reviewed in terms of the chemical, physical chemical, and biochemical properties of the current WHOPES-recommended and approved vector control agents. This review provides a basis for a discussion on the critical need for discovery and development of multiple new chemical malaria vector control agents with novel and diverse modes of action. The Innovative Vector Control Consortium (IVCC) New Active Ingredient Ta rget Product Profile (TPP) describes the essential attributes for a successful new malaria vector control agent and then serves as the basis for development of a discovery cascade. The cascade addresses these attributes experimentally at each stage of the discovery process -from design and assembly of an appropriate collection of chemicals for screening, through development of testing protocols to sort candidates, and into the detailed profiling of advanced pre-development candidates against TPP requirements. In addition, this program defines a staged development system to provide intermediate guidance to the insecticide explorer regarding the progress of their discovery program against the ultimate product goal.

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“…There are many ways to solubilize certain poorly soluble active ingredients, but these methods are limited by particular structures with certain properties in regard to their chemistry or, for example, to their molecular size or conformation. Generally strategies/structural modifications to improve permeability are based on a few fundamental concepts: reduction of ionizability, increase of lipophilicity, reduction of polarity or reduction of hydrogen bond donors or acceptors [1][2][3][4]. Formulations [77][78][79][80][81][82][83][84][85].…”

Section: Introductionmentioning

confidence: 99%

Application Of Nanotechnology In Agriculture And Food Industry, Its Prospects And Risks

Jampílek

Kráľová

2015

Ecological Chemistry and Engineering S

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Nanoagrochemicals, such as nanopesticides, nanofertilizers or plant growth stimulating nanosystems, were primarily designed to increase solubility, enhance bioavailability, targeted delivery, controlled release and/or protection against degradation resulting in the reduced amount of applied active ingredients and finally in a decrease of dose-dependent toxicity/burden. This paper is a comprehensive up-to-date review related to the preparation and the biological activity of nanoformulations enabling gradual release of active ingredient into weeds and the body of pests and controlled release of nutrients to plants. The attention is also devoted to the decrease of direct environmental burden and economic benefits due to application of nanoformulations, where less amount of active ingredient is needed to achieve the same biological effect in comparison with bulk. The application of nanotechnology in the areas such as food packaging, food security, encapsulation of nutrients and development of new functional products is analysed. The use of nanoparticles in biosensors for detection of pathogens and contaminants as well as in DNA and gene delivery is discussed as well. Benefits and health risks of nanoagrochemicals are highlighted, and special attention is given to nanoecotoxicology and guidelines and regulatory documents related to the use of nanoformulations in agriculture and food industry.

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Physical and Molecular Properties of Agrochemicals: An Analysis of Screen Inputs, Hits, Leads, and Products

Cited by 92 publications

References 5 publications

Potential of agricultural fungicides for antifungal drug discovery

Potential of agricultural fungicides for antifungal drug discovery

Discovery to Development: Insecticides for Malaria Vector Control

Application Of Nanotechnology In Agriculture And Food Industry, Its Prospects And Risks

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