Combinatorial chemistry in the agrosciences

Lindell, Stephen D.; Pattenden, Lisa C.; Shannon, Jonathan

doi:10.1016/j.bmc.2009.03.027

Cited by 46 publications

(23 citation statements)

References 71 publications

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“…He defined simple and easy to implement rules for pesticide-likeness, by including molecular weight (MW), lipophilicity (expressed as log P), number of H-bond acceptors (HBA) and donors (HBD), number of rotatable bonds (RB) and number of aromatic bounds. Comprehensive investigations and matching of the discussed parameters were performed by Lindell et al [43] and Avram et al [44] There are some small differences in the optimal properties for agrochemicals and drugs. Agrochemicals show a slightly lower tolerance for H-bond donors than drugs.…”

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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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: 99%

Potential of agricultural fungicides for antifungal drug discovery

Jampílek

2015

Expert Opinion on Drug Discovery

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“…[5] In organic synthesis, oxime ethers are also interesting building blocks because of the electrophilic oxime moiety and for the potential to undergo rearrangement.…”

Section: Introductionmentioning

confidence: 99%

Synthesis of Unusual Oxime Ethers by Reaction of Tetranitromethane with B‐Alkylcatecholboranes

Lüthy

Schenk

Renaud

2010

Chemistry A European J

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The reaction of tetranitromethane with B-alkylcatecholboranes leads to the formation of unusual dinitrooxime ethers. A tentative mechanism is provided, which suggests the involvement of extremely fast addition of alkyl radicals to tetranitromethane. The substitution of one of the nitro groups in the oxime ethers by nucleophiles (such as secondary amines, halogens and styrene) and by radicals generated from B-alkylcatecholboranes is reported.

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“…With the discovery of new highly potent lowdose herbicide classes, specifically the sulfonylureas in the 1980s, requirements for compound quantities for herbicide testing decreased significantly, from grams to the low milligram scale. Subsequently, in the mid-1990s, combinatorial chemistry, a novel synthesis tool able to produce hundreds of thousands of new chemical entities in a relatively short time, became possible (Smith, 2003;Lindell and Scherkenbeck, 2005;Scherkenbeck and Lindell, 2005;Lindell et al, 2009). As a result, plant pot-based primary screening for lead identification was replaced with novel screening systems able to cope with high numbers of chemicals in a cost-effective way (Ridley et al, 1998).…”

Section: New Discovery Approachesmentioning

confidence: 99%

Herbicides as Weed Control Agents: State of the Art: II. Recent Achievements

et al. 2014

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In response to changing market dynamics, the discovery of new herbicides has declined significantly over the past few decades and has only seen a modest upsurge in recent years. Nevertheless, the few introductions have proven to be interesting and have brought useful innovation to the market. In addition, herbicide-tolerant or herbicide-resistant crop technologies have allowed the use of existing nonselective herbicides to be extended into crops. An increasing and now major challenge is being posed by the inexorable increase in biotypes of weeds that are resistant to herbicides. This problem is now at a level that threatens future agricultural productivity and needs to be better understood. If herbicides are to remain sustainable, then it is a must that we adopt diversity in crop rotation and herbicide use as well as increase the use of nonchemical measures to control weeds. Nevertheless, despite the difficulties posed by resistant weeds and increased regulatory hurdles, new screening tools promise to provide an upsurge of potential herbicide leads. Our industry urgently needs to supply agriculture with new, effective resistance-breaking herbicides along with strategies to sustain their utility.Only a few companies are significantly pursuing herbicide discovery in the 21st century. Most of these have combined seed and traits businesses, since fees for traits constitute a considerable part of the income of agrochemical companies today. In concert with a review of the historical perspectives of herbicide research (Kraehmer et al., 2014), we provide here a short description of the current major research activities within the remaining 21st century agrochemical companies. After an overview of the chemicals that have entered the market in the 21st century, we provide a brief summary of the current nature of the weed-resistant herbicide problem. We then go on to summarize breedingassisted and transgenic approaches toward the improvement of crop selectivity through the delivery of so-called herbicide-tolerant (HT) or herbicide-resistant crops, and conclude with a discussion of the new herbicide discovery screening tools that have been employed since the year 2000 and prospects for the future. MAJOR CHEMICAL TRENDS AFTER 2000Several new compounds have entered the herbicide market in recent years. Although not representing new modes of action (MoAs), they have increased the number of tools available for farmers to use to control weeds. Even in known and older herbicidal classes, new, interesting, and marketable molecules have been discovered. For example, and perhaps surprising given the relative age of the class of herbicides, new (after 2000) acetolactate synthase (ALS) inhibitors have provided solutions for farmers that can be regarded as real innovations. One of them is mesosulfuron-methyl (Fig. 1), a sulfonylurea herbicide that, when combined with iodosulfuron-methyl sodium, has broad-spectrum postemergence grass weed control at dose rates of 4.5 to 15 g active ingredient (a.i.) ha 21 (Safferling, 2005). Another ...

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Combinatorial chemistry in the agrosciences

Cited by 46 publications

References 71 publications

Potential of agricultural fungicides for antifungal drug discovery

Potential of agricultural fungicides for antifungal drug discovery

Synthesis of Unusual Oxime Ethers by Reaction of Tetranitromethane with B‐Alkylcatecholboranes

Herbicides as Weed Control Agents: State of the Art: II. Recent Achievements

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