• Title/Summary/Keyword: Agrochemicals development

Search Result 40, Processing Time 0.025 seconds

Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodologies. I. The basic concepts and types of QSAR methodologies (정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 I. 기본 개념과 QSAR 기법의 유형)

  • Sung, Nack-Do
    • The Korean Journal of Pesticide Science
    • /
    • v.6 no.3
    • /
    • pp.166-174
    • /
    • 2002
  • The fundamental concepts on the basis of linear free energy relationship (LFER), history of development, prediction of pharmacological effects, advantages and disadvantages, etc. according to the 2D and 3D QSAR methodologies were summarized in utilizing the quantitative structure-activity relation ship (QSAR) techniques for searching and development of new agrochemicals. Objectives, role of QSAR techniques in development process of pesticides and limitations in QSARs were discussed and introduced.

Computer-Aided Drug Discovery in Plant Pathology

  • Shanmugam, Gnanendra;Jeon, Junhyun
    • The Plant Pathology Journal
    • /
    • v.33 no.6
    • /
    • pp.529-542
    • /
    • 2017
  • Control of plant diseases is largely dependent on use of agrochemicals. However, there are widening gaps between our knowledge on plant diseases gained from genetic/mechanistic studies and rapid translation of the knowledge into target-oriented development of effective agrochemicals. Here we propose that the time is ripe for computer-aided drug discovery/design (CADD) in molecular plant pathology. CADD has played a pivotal role in development of medically important molecules over the last three decades. Now, explosive increase in information on genome sequences and three dimensional structures of biological molecules, in combination with advances in computational and informational technologies, opens up exciting possibilities for application of CADD in discovery and development of agrochemicals. In this review, we outline two categories of the drug discovery strategies: structure- and ligand-based CADD, and relevant computational approaches that are being employed in modern drug discovery. In order to help readers to dive into CADD, we explain concepts of homology modelling, molecular docking, virtual screening, and de novo ligand design in structure-based CADD, and pharmacophore modelling, ligand-based virtual screening, quantitative structure activity relationship modelling and de novo ligand design for ligand-based CADD. We also provide the important resources available to carry out CADD. Finally, we present a case study showing how CADD approach can be implemented in reality for identification of potent chemical compounds against the important plant pathogens, Pseudomonas syringae and Colletotrichum gloeosporioides.

Development of New Agrochemicals by Quantitative Structure-Activity Relationship (QSAR) Methodology -IV. A Tendency of Research and Prospect in Korea- (정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 -IV. 국내의 연구 동향과 전망-)

  • Sung, Nack-Do
    • Applied Biological Chemistry
    • /
    • v.46 no.3
    • /
    • pp.155-164
    • /
    • 2003
  • It was reviewed for the status of domestic research before and after 1990's for search of a new pesticides using 2D QSAR of quantitative structure-activity relationship (QSAR) methodologies (Sung, Nack-Do (2002) Development of new agrochemicals by quantitative structure-activity relationship (QSAR) methodology. Kor J. Pestic. Sci. 6, 166-174, 231-243 & 7, 1-11) which was proposed according to Hansch-Fujita equation based on the concept of biological Hammett equation.

Development of new agrochemicals by qnantitative structure-activity relationship (QSAR) methodology. II. The linear free energy relationship (LFER) and descriptors (정량적인 구조-활성상관(QSAR) 기법에 의한 새로운 농약의 개발 II. 자유에너지 직선관계(LFER)와 설명인자들)

  • Sung, Nack-Do
    • The Korean Journal of Pesticide Science
    • /
    • v.6 no.4
    • /
    • pp.231-243
    • /
    • 2002
  • Starting with linear free energy relationships (LFER), drug design to mimic of the activated complexes at transition state, and hydrolysis mechanisms to control the potency and residual properties of pesticides were introduced and summarized for the necessity. In order to understand the searching or development of new agrochemicals by two dimensional quantitative structure-activity relationship (2D QSAR) methodology, a series of the various descriptors, steric constants, electronic constants including quantum pharmacological parameters and hydrophobic constants were classified and discussed for results of the several studied cases. In addition, the processes of development of new agrochemicals by QSAR techniques were introduced simply.

Screening of Potent Biofungicide for the Growth Inhibition of Soilborne Pathogenic Fungi, Rhizoctonia solani (잔디 뿌리병 병원균인 Rhizoctonia solani의 성장을 저해하는 미생물 선발)

  • 이은열;이재화
    • Journal of Life Science
    • /
    • v.13 no.3
    • /
    • pp.355-358
    • /
    • 2003
  • Various Trichoderma spp. were evaluated for the development of biofungicides to control soilborne pathogen, Rhiztonia solani, Various Trichoderma spp. were initially tested for their ability to inhibit growth of R. solani by inhibition zone test. Inhibition zones of 3∼5 mm toward R. solani were detected on PDA agar plates. The parasitic activity of strains, the activities of cell-wall-degrading enzymes such as glucanases and chitinases, were also evaluated. Highest activities of glucanase and chitinase were 3.5 U/ml and 0.9 U/ml, respectively, Isolated Trichoderma spp. also exhibited good growth with currently used agrochemicals, which represents that the isolated biofungicides can be mutually used with agrochemicals.

Modeling and Synthesis of Novel Hydroxyethyl 2-iminothiazolines (새로운 hydroxyethyl 2-iminothiazoline 유도체의 모델링 및 합성)

  • Hahn, Hoh-Gyu;Nam, Kee-Dal;Jeon, Jin-Ho;Mah, He-Duck
    • The Korean Journal of Pesticide Science
    • /
    • v.7 no.2
    • /
    • pp.117-122
    • /
    • 2003
  • Modeling and synthesis of novel hydroxyethyl 2-iminothiazolines were carried out through molecular modification of lead compound, 2-phenyliminothiazolines 1, for the purpose of development of new fungicidal agrochemicals. Oxygen atom of the hydroxyethyl group in 2-iminothiazolines 3 would locate in the proximity of the imino carbon at C-2 of 2-iminothiazoline moiety through neighboring group participation, and so that it would affect the biological activity of the molecule. Reaction of $\gamma$-chloroacetoacetanilides 5 with hydroxyethylureas 6 gave 29 kinds of new corresponding hydroxyethyl 2-iminothiazolines 3 in high yields.

국내휴대품도 검역실시 -미국의 식물검역 현황-

  • 유기열
    • The Bimonthly Magazine for Agrochemicals and Plant Protection
    • /
    • v.5 no.12
    • /
    • pp.55-60
    • /
    • 1984
  • 미농무성 초청으로 ''84.8.10$\~$9.29까지 미 농무성 동식물검역국(Animal and Plant Health Inspection Service)의 공무원 교육원(Professional Development Center, Maryland 주의 Fredrick시 소재)에서 식물검역 연수과정에 참석한 연수자는 한국, 코스타리카, 자마이카, 소말리아, 에멘, 우루과이, 마다가스카르, 잠비아등 8개국에서 온 9명이었다. 연수는 이론과 현장실습이 각 50$\%$씩 되어 있었으며 특히 공항과 항구검역 및 검역제도 수립등에 역점을 두었다. 미국의 식물검역은 우리나라의 식물검역과 크게 다른 점이 없었으나 몇가지 상이한 것이 있어 이것을 중심으로 미국의 식물검역에 대하여 약술함으로써 우리나라의 식물검역 업무의 개선에 도움을 주고자 한다.

  • PDF

Antifungal activities of sulphamide and dicarboximide fungicides against Botrytis cinerea in several in vitro bioassays (여러 종류의 in vitro 생물검정에서 Botrytis cinerea에 대한 sulphamide계와 dicarboximide계 살균제의 활성 특성)

  • Choi, Gyung-Ja;Kim, Heung-Tae;Kim, Jin-Cheol;Cho, Kwang-Yun
    • The Korean Journal of Pesticide Science
    • /
    • v.3 no.3
    • /
    • pp.37-44
    • /
    • 1999
  • Two sulphamide (dichlofluanid and tolylfluanid) and three dicarboximide fungicides (iprodione, vinclozolin, procymidone) were used to investigate the correlation between in vitro antifungal activities and in vivo disease controlling activities against Botrytis cinerea, a causal agent of tomato gray mold and to develop efficient in vitro assays. They controlled effectively the development of tomato gray mold disease in vivo and their controlling activities were similar one another. However, several in vitro assays revealed that their in vitro antifungal activities were quite different between sulphamide and dicarboximide fungicides; the formers showed stronger inhibition activities for spore germination than the latters, whereas the formers inhibited mycelial growth less severely than the latters. The results indicate that the fungicides having different modes of action can show different in vitro antifungal activities according to in vitro assays, even if they have similar in vivo disease controlling activities. On the other hand, two rapid and efficient in vitro assays named Microtiter plate methods I (MPM I) and II (MPM II) were developed for the evaluation of fungicides for inhibitory activities against spore germination and mycelial growth of B. cinerea, respectively. The antifungal activities of five fungicides of two chemical groups in MPM I and II were correlated with the inhibitory activities against spore germination and mycelial growth using solid media, respectively.

  • PDF