• Title/Summary/Keyword: de novo

Search Result 407, Processing Time 0.029 seconds

Technical Trends in Artificial Intelligence for De Novo Drug Design (신규 약물 설계를 위한 인공지능 기술 동향)

  • Y.W. Han;H.Y. Jung;S.J. Park
    • Electronics and Telecommunications Trends
    • /
    • v.38 no.3
    • /
    • pp.38-46
    • /
    • 2023
  • The value of living a long and healthy life without suffering has increased owing to aging populations, transition to welfare societies, and global interest in health deriving from the novel coronavirus disease pandemic. New drug development has gained attention as both a tool to improve the quality of life and high-value market, with blockbuster drugs potentially generating over 10 billion dollars in annual revenue. However, for newly discovered substances to be used as drugs, various properties must be verified over a long period in a time-consuming and costly process. Recently, the development of artificial intelligence technologies, such as deep and reinforcement learning, has led to significant changes in drug development by enabling the effective identification of drug candidates that satisfy desired properties. We explore and discuss trends in artificial intelligence for de novo drug design.

Antimetabolites in Nucleic Acid Biosynthesis (핵산 대사 길항제)

  • 장일무
    • YAKHAK HOEJI
    • /
    • v.21 no.2
    • /
    • pp.70-80
    • /
    • 1977
  • 본고에서는 핵산 생합성과 Salvage patheway (Preformed Purine Utilization), De novo Pyrimidine Biosynthesis, Slavage patheway (Preformed Pyrimidine Utilization), Purine Base 및 Purine Nucleoside와 비슷한 구조를 가진 핵산 대사 길항제에 대한 내용으로 구성되어 있다.

  • PDF

Effects of Adenosine, Guanosine and Azaserine on Maturation of Mouse Oocytes In Vitro (생쥐 미성숙난자의 체외성숙에 미치는 Adenosine, Guanosine 및 Azaserine의 영향)

  • 전용필;김정훈;목정은;김문규
    • Korean Journal of Animal Reproduction
    • /
    • v.21 no.2
    • /
    • pp.123-130
    • /
    • 1997
  • Normal maturation of the mammalian oocytes is prerequisite for the fertilization and the early embryonic development. We have been tested the effects of purine and its de novo synthetic inhibitor, azaserine(Aza) on the maturation of germinal vesicle(GV) and germinal vesicle breakdown(GVBD) mouse oocytes. Denude-immature oocytes were cultivated in the media containing adenosine, guanosine, and/or azaserine, and checked the matruation stage by monitoring the prominent morphological changes. In GV stage oocytes, GV was arrested temporarily by the adenosine(1.0%) and protractedly by the guanosine(65.9%, P<0.001). The regression was increased significantly at the adenosine(90%, P<0.001) but decreased at the guanosine(1.6%, P<0.05). Inhibiting the de novo synthesis of purine, nuclear maturation rate was increase(90.4% : 96.7%), but GV arrest was significantly increased by cotreatment with guanosine(P<0.001). Polar body extraction significantly was increased at the Aza(P<0.05), but not in others. In GVBD oocytes, adenosine itself did not affect GVBD arrest. Guanosine, on the other hand, elevated GVBD arrest rate(P<0.001), but co-treated with Aza, decreased GVBD arrest(P<0.001). Aza increased GVBD arrest rate(20.2%, P<0.05) compared with control. From those results, we know that guanosine shows more prominent effect on the inhibition of nuclear maturation at the GV stage, and of the 1st polar body extrusion at the GVBD stage. Adenosine showed the cytoplasmic toxicity at GV stage oocyte. Our data speculate that cytoplasmic cAMP level is auto-regulated by endogenous adenylate cyclase while GVBD is inhibited by guanosine, since purine toxicity is not observed in the GVBD stage. And it is showed that purine metabolism is concerned with nuclear maturation, that the amounts of purine metabolism is not even during the oocyte maturation.

  • PDF

Draft Genome of Toxocara canis, a Pathogen Responsible for Visceral Larva Migrans

  • Kong, Jinhwa;Won, Jungim;Yoon, Jeehee;Lee, UnJoo;Kim, Jong-Il;Huh, Sun
    • Parasites, Hosts and Diseases
    • /
    • v.54 no.6
    • /
    • pp.751-758
    • /
    • 2016
  • This study aimed at constructing a draft genome of the adult female worm Toxocara canis using next-generation sequencing (NGS) and de novo assembly, as well as to find new genes after annotation using functional genomics tools. Using an NGS machine, we produced DNA read data of T. canis. The de novo assembly of the read data was performed using SOAPdenovo. RNA read data were assembled using Trinity. Structural annotation, homology search, functional annotation, classification of protein domains, and KEGG pathway analysis were carried out. Besides them, recently developed tools such as MAKER, PASA, Evidence Modeler, and Blast2GO were used. The scaffold DNA was obtained, the N50 was 108,950 bp, and the overall length was 341,776,187 bp. The N50 of the transcriptome was 940 bp, and its length was 53,046,952 bp. The GC content of the entire genome was 39.3%. The total number of genes was 20,178, and the total number of protein sequences was 22,358. Of the 22,358 protein sequences, 4,992 were newly observed in T. canis. Following proteins previously unknown were found: E3 ubiquitin-protein ligase cbl-b and antigen T-cell receptor, zeta chain for T-cell and B-cell regulation; endoprotease bli-4 for cuticle metabolism; mucin 12Ea and polymorphic mucin variant C6/1/40r2.1 for mucin production; tropomodulin-family protein and ryanodine receptor calcium release channels for muscle movement. We were able to find new hypothetical polypeptides sequences unique to T. canis, and the findings of this study are capable of serving as a basis for extending our biological understanding of T. canis.

Downregulation of Hepatic De Novo Lipogenesis and Adipogenesis in Adipocytes by Pinus densiflora Bark Extract

  • Ahn, Hyemyoung;Jeong, Jeongho;Moyo, Knowledge Mudhibadi;Ryu, Yungsun;Min, Bokkee;Yun, Seong Ho;Kim, Hwa Yeon;Kim, Wooki;Go, Gwang-woong
    • Journal of Microbiology and Biotechnology
    • /
    • v.27 no.11
    • /
    • pp.1925-1931
    • /
    • 2017
  • Korean red pine (Pinus densiflora) bark extract, PineXol (PX), was investigated for its potential antioxidant and anti-inflammation effects in vitro. It was hypothesized that PX treatment ($25-150{\mu}g/ml$) would reduce the lipid synthesis in HepG2 hepatocytes as well as lipid accumulation in 3T3-L1 adipocytes. Hepatocytes' intracellular triglycerides and cholesterol were decreased in the PX $150{\mu}g/ml$ treatment group compared with the control (p < 0.05). Consequently, de novo lipogenic proteins (acetyl-CoA carboxylase 1, stearoyl-CoA desaturase 1, elongase of very long chain fatty acids 6, glycerol-3-phosphate acyltransferase 1, and sterol regulatory element-binding protein 1) were significantly decreased in hepatocytes by PX $150{\mu}g/ml$ treatment compared with the control (p < 0.05). In differentiated 3T3-L1 adipocytes, the lipid accumulation was significantly attenuated by all PX treatments (p < 0.01). Regulators of adipogenesis, including CCAAT-enhancer-binding proteins alpha, peroxisome proliferatoractivated receptor gamma, and perilipin, were decreased in PX $100{\mu}g/ml$ treatment compared with the control (p < 0.05). In conclusion, PX might have anti-obesity effects by blocking hepatic lipogenesis and by inhibiting adipogenesis in adipocytes.

A case of de novo duplication of 15q24-q26.3

  • Kim, Eun-Young;Kim, Yu-Kyong;Kim, Mi-Kyoung;Jung, Ji-Mi;Jeon, Ga-Won;Kim, Hye-Ran;Sin, Jong-Beom
    • Clinical and Experimental Pediatrics
    • /
    • v.54 no.6
    • /
    • pp.267-271
    • /
    • 2011
  • Distal duplication, or trisomy 15q, is an extremely rare chromosomal disorder characterized by prenatal and postnatal overgrowth, mental retardation, and craniofacial malformations. Additional abnormalities typically include an unusually short neck, malformations of the fingers and toes, scoliosis and skeletal malformations, genital abnormalities, particularly in affected males, and, in some cases, cardiac defects. The range and severity of symptoms and physical findings may vary from case to case, depending upon the length and location of the duplicated portion of chromosome 15q. Most reported cases of duplication of the long arm of chromosome 15 frequently have more than one segmental imbalance resulting from unbalanced translocations involving chromosome 15 and deletions in another chromosome, as well as other structural chromosomal abnormalities. We report a female newborn with a de novo duplication, 15q24- q26.3, showing intrauterine overgrowth, a narrow asymmetric face with down-slanting palpebral fissures, a large, prominent nose, and micrognathia, arachnodactyly, camptodactyly, congenital heart disease, hydronephrosis, and hydroureter. Chromosomal analysis showed a 46,XX,inv(9)(p12q13),dup(15)(q24q26.3). Array comparative genomic hybridization analysis revealed a gain of 42 clones on 15q24-q26.3. This case represents the only reported patient with a de novo 15q24-q26.3 duplication that did not result from an unbalanced translocation and did not have a concomitant monosomic component in Korea.

An unusual de novo duplication 10p/deletion 10q syndrome: The first case in Korea

  • Lee, Bom-Yi;Park, Ju-Yeon;Lee, Yeon-Woo;Oh, Ah-Rum;Lee, Shin-Young;Choi, Eun-Young;Kim, Moon-Young;Ryu, Hyun-Mee;Park, So-Yeon
    • Journal of Genetic Medicine
    • /
    • v.12 no.1
    • /
    • pp.49-56
    • /
    • 2015
  • We herein report an analysis of a female baby with a de novo dup(10p)/del(10q) chromosomal aberration. A prenatal cytogenetic analysis was performed owing to abnormal ultrasound findings including a choroid plexus cyst, prominent cisterna magna, and a slightly medially displaced stomach. The fetal karyotype showed additional material attached to the terminal region of chromosome 10q. Parental karyotypes were both normal. At birth, the baby showed hypotonia, upslanting palpebral fissures, a nodular back mass, respiratory distress, neonatal jaundice and a suspicious polycystic kidney. We ascertained that the karyotype of the baby was 46,XX,der(10)($pter{\rightarrow}q26.3::p11.2{\rightarrow}pter$) by cytogenetic and molecular cytogenetic analyses including high resolution GTG-and RBG-banding, fluorescence in situ hybridization, comparative genomic hybridization, and short tandem repeat marker analyses. While almost all reported cases of 10p duplication originated from one of the parents with a pericentric inversion, our case is extraordinarily rare as the de novo dup(10p)/del(10q) presumably originated from a rearrangement at the premeiotic stage of the parental germ cell or from parental germline mosaicism.

Identification of Candidate Transcripts Related to Drought Stress using Secondary Traits and qRT-PCR in Tropical Maize (Zea mays L.)

  • Kim, Hyo Chul;Song, Kitae;Moon, Jun-Cheol;Kim, Jae Yoon;Kim, Kyung-Hee;Lee, Byung-Moo
    • KOREAN JOURNAL OF CROP SCIENCE
    • /
    • v.64 no.4
    • /
    • pp.432-440
    • /
    • 2019
  • Global climate change exerts adverse effects on maize production. Among abiotic stresses, drought stress during the tasseling stage (VT) can increase anthesis-silking intervals (ASI) and decrease yield. We performed an evaluation of ASI and yield using a drought-sensitive line (Ki3) and a drought-tolerant line (Ki11) to analyze the correlation with ASI and yield. Moreover, the de novo data of Ki11 were analyzed to find putative novel transcripts related todrought stress in tropical maize. A total of 182 transcripts, with a log2 ratio >1.5, were found by comparing drought conditions to a control. The top 40 transcripts of high expression levels in the de novo analysis were selected and analyzed with PCR. Of the 40 transcripts, six novel transcripts were detected by quantitative real-time PCR (qRT-PCR) using seedling and VT stage samples. Five transcripts (transcripts_1, 12, 34, 35, and 40) were up-regulated in the Ki11 shoot at seedling stage, and transcripts_1, 12, and 40 were up-regulated at the re-watering stage after 12 h of drought stress. The transcripts_32 and 34 were up-regulated at the VT stage. Hence, transcript_34 possibly plays a significant role in drought tolerance during the seedling and VT stages. The transcript_32 was identified as chloramphenicol acetyltransferase (CAT) by Pfam domain analysis. The function of the other transcripts remained unknown. Further characterization of these novel transcripts in genetic regulation will be of great value for the improvement of maize production.