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Journal articles on the topic 'New Chemical Entity'

Author: Grafiati

Published: 4 June 2021

Last updated: 1 February 2022

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1

Branch, Sarah K., and Israel Agranat. "“New Drug” Designations for New Therapeutic Entities: New Active Substance, New Chemical Entity, New Biological Entity, New Molecular Entity." Journal of Medicinal Chemistry 57, no. 21 (2014): 8729–65. http://dx.doi.org/10.1021/jm402001w.

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2

Fortes, Amanda C., Antonia Amanda C. Almeida, Francisco Jaime B. Mendonça-Júnior, Rivelilson M. Freitas, José Lamartine Soares-Sobrinho, and Monica Felts de La Roca Soares. "Anxiolytic Properties of New Chemical Entity, 5TIO1." Neurochemical Research 38, no. 4 (2013): 726–31. http://dx.doi.org/10.1007/s11064-013-0970-y.

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3

Bernard, Bruno A. "Adapalene, a New Chemical Entity with Retinoid Activity." Skin Pharmacology and Physiology 6, no. 1 (1993): 61–69. http://dx.doi.org/10.1159/000211165.

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4

Colburn, Wayne A. "New Chemical Entity Update: Products Approved for Marketing During 1996." Journal of Clinical Pharmacology 37, no. 3 (1997): 258–60. http://dx.doi.org/10.1002/j.1552-4604.1997.tb04789.x.

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5

McAfee, Donald A., Jonathan Hadgraft, and Majella E. Lane. "Rotigotine: The first new chemical entity for transdermal drug delivery." European Journal of Pharmaceutics and Biopharmaceutics 88, no. 3 (2014): 586–93. http://dx.doi.org/10.1016/j.ejpb.2014.08.007.

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6

NOGUCHI, Hideyo, and Yoji TOKUMA. "Toxicology Support ADME Studies for Safety Evaluation of New Chemical Entity." Drug Metabolism and Pharmacokinetics 13, no. 2 (1998): 182–89. http://dx.doi.org/10.2133/dmpk.13.182.

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7

Akkasi, Abbas, Ekrem Varoğlu, and Nazife Dimililer. "ChemTok: A New Rule Based Tokenizer for Chemical Named Entity Recognition." BioMed Research International 2016 (2016): 1–9. http://dx.doi.org/10.1155/2016/4248026.

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Named Entity Recognition (NER) from text constitutes the first step in many text mining applications. The most important preliminary step for NER systems using machine learning approaches is tokenization where raw text is segmented into tokens. This study proposes an enhanced rule based tokenizer, ChemTok, which utilizes rules extracted mainly from the train data set. The main novelty of ChemTok is the use of the extracted rules in order to merge the tokens split in the previous steps, thus producing longer and more discriminative tokens. ChemTok is compared to the tokenization methods utilize

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8

Negi, Sakshi, and Ashutosh Badola. "Role of preclinical pharmacokinetics in New Chemical Entity (NCE) development: A review." Asian Journal of Pharmacy and Pharmacology 4, no. 5 (2018): 563–69. http://dx.doi.org/10.31024/ajpp.2018.4.5.4.

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9

Costa, Salvana Priscylla Manso, Keyla Emanuelle Ramos da Silva, Giovanna Christinne Rocha de Medeiros, et al. "Thermal behavior and compatibility analysis of the new chemical entity LPSF/FZ4." Thermochimica Acta 562 (June 2013): 29–34. http://dx.doi.org/10.1016/j.tca.2013.03.003.

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10

Tang, Yun, Weiliang Zhu, Kaixian Chen, and Hualiang Jiang. "New technologies in computer-aided drug design: Toward target identification and new chemical entity discovery." Drug Discovery Today: Technologies 3, no. 3 (2006): 307–13. http://dx.doi.org/10.1016/j.ddtec.2006.09.004.

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11

Maclnnes, Rona, Cynthia E. Lumley, and Stuart R. Walker. "New chemical entity output of the international pharmaceutical industry from 1970 to 1992." Clinical Pharmacology & Therapeutics 56, no. 3 (1994): 339–49. http://dx.doi.org/10.1038/clpt.1994.145.

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12

Ghosh, Sanchita P., Michael W. Perkins, Kevin Hieber, et al. "Radiation Protection by a New Chemical Entity, Ex-Rad™: Efficacy and Mechanisms." Radiation Research 171, no. 2 (2009): 173–79. http://dx.doi.org/10.1667/rr1367.1.

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13

Mori, Kiyotoshi, Kotaro Takasaki, Yoshimitsu Katoh, et al. "Glucose concentration-dependent potentiation of insulin secretion by a new chemical entity, KCP256." European Journal of Pharmacology 528, no. 1-3 (2005): 176–82. http://dx.doi.org/10.1016/j.ejphar.2005.10.033.

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14

Taylor, Marcia, Mark Reed, Donald Weaver, et al. "P4-208: CHARACTERIZATION AND OPTIMIZATION OF NEW CHEMICAL ENTITY ANTI-PROTEIN MISFOLDING AGENTS." Alzheimer's & Dementia 10 (July 2014): P864. http://dx.doi.org/10.1016/j.jalz.2014.05.1726.

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15

Varma, Astha, Harish Padh, and Neeta Shrivastava. "Andrographolide: A New Plant-Derived Antineoplastic Entity on Horizon." Evidence-Based Complementary and Alternative Medicine 2011 (2011): 1–9. http://dx.doi.org/10.1093/ecam/nep135.

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Plant-derived natural products occupy an important position in the area of cancer chemotherapy. Molecules such as vincristine, vinblastine, paclitaxel, camptothecin derivatives, epipodophyllotoxin, and so forth, are invaluable contributions of nature to modern medicine. However, the quest to find out novel therapeutic compounds for cancer treatment and management is a never-ending venture; and diverse plant species are persistently being studied for identification of prospective anticancer agents. In this regard,Andrographis paniculataNees, a well-known plant of Indian and Chinese traditional

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16

Hema, R., and T. V. Geetha. "Recognition of Chemical Entities using Pattern Matching and Functional Group Classification." International Journal of Intelligent Information Technologies 12, no. 4 (2016): 21–44. http://dx.doi.org/10.4018/ijiit.2016100102.

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The two main challenges in chemical entity recognition are: (i) New chemical compounds are constantly being synthesized infinitely. (ii) High ambiguity in chemical representation in which a chemical entity is being described by different nomenclatures. Therefore, the identification and maintenance of chemical terminologies is a tough task. Since most of the existing text mining methods followed the term-based approaches, the problems of polysemy and synonymy came into the picture. So, a Named Entity Recognition (NER) system based on pattern matching in chemical domain is developed to extract t

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17

Barrowcliffe, Sue. "Registering A List B New Chemical Entity via the Concertation Procedure: A Case History." Drug Information Journal 27, no. 1 (1993): 69–72. http://dx.doi.org/10.1177/009286159302700115.

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18

Fernandez, J., K. Rouzard, C. Webb, et al. "708 SIG-1451: A topical anti-inflammatory new chemical entity for atopic dermatitis (AD)." Journal of Investigative Dermatology 137, no. 5 (2017): S122. http://dx.doi.org/10.1016/j.jid.2017.02.731.

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19

Cheleschi, Sara, Valentina Calamia, Mercedes Fernandez-Moreno, et al. "In vitro comprehensive analysis of VA692 a new chemical entity for the treatment of osteoarthritis." International Immunopharmacology 64 (November 2018): 86–100. http://dx.doi.org/10.1016/j.intimp.2018.08.025.

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20

Tang, Lijuan, Sadath U. Khan, and Nouman A. Muhammad. "Evaluation and Selection of Bio-relevant Dissolution Media for a Poorly Water-Soluble New Chemical Entity." Pharmaceutical Development and Technology 6, no. 4 (2001): 531–40. http://dx.doi.org/10.1081/pdt-120000291.

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21

Gil, A., A. Chamayou, E. Leverd, J. Bougaret, M. Baron та G. Couarraze. "Evolution of the interaction of a new chemical entity, eflucimibe, with γ-cyclodextrin during kneading process". European Journal of Pharmaceutical Sciences 23, № 2 (2004): 123–29. http://dx.doi.org/10.1016/j.ejps.2004.06.002.

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22

Kang, Kyung Koo, Gook Jun Ahn, Ji Hyun Sung, Soon Hoe Kim, Hyunah Kim, and Sukhyang Lee. "Ejaculatory Responses are Inhibited by a New Chemical Entity, DA-8031, in Preclinical Rodent Models of Ejaculation." Urology 81, no. 4 (2013): 920.e13–920.e18. http://dx.doi.org/10.1016/j.urology.2012.12.006.

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23

Shindel, A. W. "Ejaculatory Responses are Inhibited by a New Chemical Entity, DA-8031, in Preclinical Rodent Models of Ejaculation." Yearbook of Urology 2014 (2014): 130–31. http://dx.doi.org/10.1016/j.yuro.2013.08.016.

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24

Ankier, S. I., and S. J. Warrington. "Research and Development of New Medicines." Journal of International Medical Research 17, no. 5 (1989): 407–16. http://dx.doi.org/10.1177/030006058901700502.

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In order that a new chemical entity may be marketed as a drug its pharmacological effects must first be evaluated using animals. Its bioavailability must also be determined and toxicological studies are performed to assess its acute and chronic toxicity, mutagenicity, effects on fertility, perinatal effects, teratogenicity and carcinogenicity. If the results of efficacy and toxicity studies in animals are favourable, the drug is then tested in a few human volunteers, followed by pilot studies and large-scale clinical trials. Regulations that control how these trials are performed are considere

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25

Sethi, Nikunj, Rohit Mahar, Sanjeev K. Shukla, Akhilesh Kumar, and Neeraj Sinha. "A novel approach for testing the teratogenic potential of chemicals on the platform of metabolomics: studies employing HR-MAS nuclear magnetic resonance spectroscopy." RSC Advances 5, no. 33 (2015): 26027–39. http://dx.doi.org/10.1039/c5ra00671f.

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The objective is to develop a quick, reliable method for testing the teratogenic potential of a new chemical entity (NCE) on the platform of metabonomics, as an alternative to conventional procedures.

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26

Lundkvist, Jonas, Bengt Jönsson, and Clas Rehnberg. "Cost-effectiveness of new drugs: A systematic review of published evidence for new chemical entity drugs introduced on the Swedish market 1987–2000." International Journal of Technology Assessment in Health Care 21, no. 2 (2005): 187–93. http://dx.doi.org/10.1017/s0266462305050257.

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Objectives: The number of published economic evaluations has increased dramatically during the past decades, but the number of studies performed for different drugs varies substantially. The objective of this study was to analyze the amount of cost-effectiveness evidence for new drugs, by systematically reviewing the published evidence of cost-effectiveness.Methods: The study included 442 new chemical entities, approved in Sweden between 1987 and 2000. The amount of cost-effectiveness evidence was rated and analyzed together with information about sales and the therapeutic benefit of the drugs

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27

Thibert, Roch, Mark Parry-Billings, and Martin Shott. "Clickhaler® dry powder inhaler: focussed in vitro proof of principle evaluation of a new chemical entity for asthma." International Journal of Pharmaceutics 239, no. 1-2 (2002): 149–56. http://dx.doi.org/10.1016/s0378-5173(02)00106-0.

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28

Yao, Juan, Dongzhu Duan, Zi-Long Song, Junmin Zhang, and Jianguo Fang. "Sanguinarine as a new chemical entity of thioredoxin reductase inhibitor to elicit oxidative stress and promote tumor cell apoptosis." Free Radical Biology and Medicine 152 (May 2020): 659–67. http://dx.doi.org/10.1016/j.freeradbiomed.2020.01.008.

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29

Murti Vemuri, N., and Zofia Chrzan. "Use of Isothermal Microcalorimetry in Pharmaceutical Preformulation Studies Part III. Evaluation of excipient compatibility of a new chemical entity." Journal of Thermal Analysis and Calorimetry 78, no. 1 (2004): 63–72. http://dx.doi.org/10.1023/b:jtan.0000042154.13588.19.

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30

Mitsui, Chikahiko, Yuji Tanaka, Shota Tanaka, et al. "High performance oxygen-bridged N-shaped semiconductors with a stabilized crystal phase and blue luminescence." RSC Advances 6, no. 34 (2016): 28966–69. http://dx.doi.org/10.1039/c6ra00922k.

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31

Shah, Rashmi R. "Drug-induced prolongation of the QT interval: regulatory dilemmas and implications for approval and labelling of a new chemical entity." Fundamental and Clinical Pharmacology 16, no. 2 (2002): 147–56. http://dx.doi.org/10.1046/j.1472-8206.2002.00083.x.

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32

Bruderer, Shirin, Noémie Hurst, Ruben de Kanter, et al. "First-in-Humans Study of the Safety, Tolerability, and Pharmacokinetics of ACT-451840, a New Chemical Entity with Antimalarial Activity." Antimicrobial Agents and Chemotherapy 59, no. 2 (2014): 935–42. http://dx.doi.org/10.1128/aac.04125-14.

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ABSTRACTEmerging resistance to antimalarial agents raises the need for new drugs. ACT-451840 is a new compound with potent activity against sensitive and resistantPlasmodium falciparumstrains. This was a first-in-humans single-ascending-dose study to investigate the safety, tolerability, and pharmacokinetics of ACT-451840 across doses of 10, 50, 200, and 500 mg in healthy male subjects. In the 200- and 500-mg dose groups, the effect of food was investigated, and antimalarial activity was assessed using anex vivobioassay withP. falciparum. No (serious) adverse events leading to discontinuation

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33

Ways, Kirk, Mark D. Johnson, Rao N. V. S. Mamidi, James Proctor, Sandra De Jonghe, and Calvert Louden. "Successful Integration of Nonclinical and Clinical Findings in Interpreting the Clinical Relevance of Rodent Neoplasia with a New Chemical Entity." Toxicologic Pathology 43, no. 1 (2014): 48–56. http://dx.doi.org/10.1177/0192623314557179.

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34

Peng, Lanfei, Dong Gao, and Yujie Bai. "A Study on Standardization of Security Evaluation Information for Chemical Processes Based on Deep Learning." Processes 9, no. 5 (2021): 832. http://dx.doi.org/10.3390/pr9050832.

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Hazard and operability analysis (HAZOP) is one of the most commonly used hazard analysis methods in the petrochemical industry. The large amount of unstructured data in HAZOP reports has generated an information explosion which has led to a pressing need for technologies that can simplify the use of this information. In order to solve the problem that massive data are difficult to reuse and share, in this study, we propose a new deep learning framework for Chinese HAZOP documents to perform a named entity recognition (NER) task, aiming at the characteristics of HAZOP documents, such as polysem

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35

Saleh, Tarek, Barry Connell, Inan Kucukkaya, and Alaa Abd-El-Aziz. "Increasing the Biological Stability Profile of a New Chemical Entity, UPEI-104, and Potential Use as a Neuroprotectant Against Reperfusion-Injury." Brain Sciences 5, no. 2 (2015): 130–43. http://dx.doi.org/10.3390/brainsci5020130.

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36

De Clerck, Fred, Andre Van de Water, Jan D'Aubioul, et al. "In vivo measurement of QT prolongation, dispersion and arrhythmogenesis: application to the preclinical cardiovascular safety pharmacology of a new chemical entity." Fundamental and Clinical Pharmacology 16, no. 2 (2002): 125–40. http://dx.doi.org/10.1046/j.1472-8206.2002.00081.x.

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37

Rather, M. A., Z. S. Bhat, A. M. Lone, S. Amin, B. A. Bhat, and Z. Ahmad. "In vitro antimycobacterial activity of 2-(((2-hydroxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione: A new chemical entity against Mycobacterium tuberculosis." International Journal of Infectious Diseases 73 (August 2018): 104. http://dx.doi.org/10.1016/j.ijid.2018.04.3656.

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38

Rather, Muzafar Ahmad, Zubair Shanib Bhat, Ali Mohd Lone, et al. "In vitro antimycobacterial activity of 2-(((2-hydroxyphenyl)amino)methylene)-5,5-dimethylcyclohexane-1,3-dione: a new chemical entity against Mycobacterium tuberculosis." International Journal of Antimicrobial Agents 52, no. 2 (2018): 265–68. http://dx.doi.org/10.1016/j.ijantimicag.2018.02.022.

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39

Khan, Hashim, Marco Metra, John E. A. Blair, et al. "Istaroxime, a first in class new chemical entity exhibiting SERCA-2 activation and Na–K-ATPase inhibition: a new promising treatment for acute heart failure syndromes?" Heart Failure Reviews 14, no. 4 (2009): 277–87. http://dx.doi.org/10.1007/s10741-009-9136-z.

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40

Narasimha, M., B. Revanth, D. Mahender, and P. Sarita Rajender. "Synthesis and Molecular Docking Studies of Triazole Conjugated Novel 2,4-Disubstituted Thiazole Derivatives as CDK2 Inhibitors." Asian Journal of Chemistry 33, no. 8 (2021): 1849–54. http://dx.doi.org/10.14233/ajchem.2021.23257.

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A series of triazole conjugated novel 2,4-disubstituted thiazole derivatives (9a-l) were synthesized from salicylaldehyde. These new chemical entities were characterized by their IR, 1H & 13C NMR, mass spectral data and their molecular docking studies were performed to identify potential inhibitors of CDK2 protein. The synthesized analogs 9a-l were docked with CDK2 protein (PDB: 1GIJ). Among these 9h, 9j and 9k showed better Glide score, Prime MM-GBSA and ADME properties as compared to seliciclib and dinaciclib cancer inhibiting drugs of CDK2 protein. The amino acid Val83 of CDK2 protein w

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41

Allen, Leland C. "Chemical interpretation: basis set use and the Periodic Table." Canadian Journal of Chemistry 70, no. 2 (1992): 631–35. http://dx.doi.org/10.1139/v92-086.

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Examination of contemporary quantum chemistry literature and texts strongly indicates the need for new interpretative measures and indices that have heuristic chemical appeal, but are rigorously defined by physics. A closer look at the Periodic Table in search of such measures leads to configurationenergy (CE), the average energy of a valence electron, which adds a third intrinsic dimension to the Table itself, and is also strongly correlated with atomic energy level spacings. CE can be translated into a quantum mechanical operator whose expectation value in molecules and solids is the Energy

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42

Ha, DongMun, Yong Choi, Dae Up Kim, Kyu Hyuck Chung, and Eui-Kyung Lee. "A Comparative Analysis of the Impact of a Positive List System on New Chemical Entity Drugs and Incrementally Modified Drugs in South Korea." Clinical Therapeutics 33, no. 7 (2011): 926–32. http://dx.doi.org/10.1016/j.clinthera.2011.05.089.

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43

EARLEY, JOSEPH E. "HOW DYNAMIC AGGREGATES MAY ACHIEVE EFFECTIVE INTEGRATION." Advances in Complex Systems 06, no. 01 (2003): 115–26. http://dx.doi.org/10.1142/s0219525903000761.

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Requirements for warranted identification of 'emergence' of new entities in nonlinear chemical dynamic systems are considered in terms of developments in both chemistry and in philosophy. In particular, a recently reported example of emergence of coherence in a set of electrochemical oscillators is examined. The philosophical theory of 'response dependence,' proposed as a 'third way' in the realist-antirealist controversy, and a contemporary discussion of the concept of substance are also employed. The conclusion is reached that when a set of chemical reactions achieves such closure as to gene

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44

Xue, Na, Yutao Jia, Congwei Li, Binnan He, Caiqin Yang та Jing Wang. "Characterizations and Assays of α-Glucosidase Inhibition Activity on Gallic Acid Cocrystals: Can the Cocrystals be Defined as a New Chemical Entity During Binding with the α-Glucosidase?" Molecules 25, № 5 (2020): 1163. http://dx.doi.org/10.3390/molecules25051163.

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Cocrystallization with co-former (CCF) has proved to be a powerful approach to improve the solubility and even bioavailability of poorly water-soluble active pharmaceutical ingredients (APIs). However, it is still uncertain whether a cocrystal would exert the pharmacological activity in the form of a new chemical entity, an API-CCF supramolecule. In the present study, gallic acid (GA)-glutaric acid and GA-succinimide cocrystals were screened. The solubility, dissolution rate and oral bioavailability of the two cocrystals were evaluated. As expected, AUCs of GA-glutaric acid and GA-succinimide

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45

Bowditch, Allan, Gustavo Gurrieri, and Beverley Henry. "The Use of Combined Conjoint Approaches to Improve Market Share Predictions." International Journal of Market Research 45, no. 3 (2003): 1–16. http://dx.doi.org/10.1177/147078530304500306.

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Within the pharmaceutical prescription sector, just like many other markets, maintaining competitive advantage has become increasingly difficult. In the healthcare arena, the period of time that a new chemical entity has on the market before a key competitor emerges has been significantly reduced. If a company has already developed an important market franchise in a given sector or disease area, it is essential that that company understands the potential threats it is likely to face in the future from new product entries and also to appreciate what, if anything, could be done to protect or enh

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46

Saunders, M., E. S. K. Menon, D. J. Chisholm, and A. G. Fox. "Extracting Chemical Information From Energy-Dispersive X-Ray Spectra by Multivariate Statistical Analysis (MSA)." Microscopy and Microanalysis 4, S2 (1998): 204–5. http://dx.doi.org/10.1017/s1431927600021140.

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The introduction of Multivariate Statistical Analysis techniques such as Principal Component Analysis (PCA) to the study of EDS and EELS spectra has opened up new possibilities for processing spectral data. In conventional EDS analysis each spectrum provides information about the elemental composition of the sample at a specific probe position. Where the signal arises from a single phase this elemental composition corresponds to the chemical composition of the phase. However, where the probe is incident on a multiphase region of the sample it is impossible to make a direct identification of th

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47

Bertaina-Anglade, V., E. Enjuanes, D. Morillon, and C. Drieu la Rochelle. "The object recognition task in rats and mice: A simple and rapid model in safety pharmacology to detect amnesic properties of a new chemical entity." Journal of Pharmacological and Toxicological Methods 54, no. 2 (2006): 99–105. http://dx.doi.org/10.1016/j.vascn.2006.04.001.

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48

Abdolmaleki, Azizeh, and Jahan B. Ghasemi. "Dual-acting of Hybrid Compounds - A New Dawn in the Discovery of Multi-target Drugs: Lead Generation Approaches." Current Topics in Medicinal Chemistry 17, no. 9 (2017): 1096–114. http://dx.doi.org/10.2174/1568026616666160927151144.

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Finding high quality beginning compounds is a critical job at the start of the lead generation stage for multi-target drug discovery (MTDD). Designing hybrid compounds as selective multitarget chemical entity is a challenge, opportunity, and new idea to better act against specific multiple targets. One hybrid molecule is formed by two (or more) pharmacophore group’s participation. So, these new compounds often exhibit two or more activities going about as multi-target drugs (mtdrugs) and may have superior safety or efficacy. Application of integrating a range of information and sophisticated n

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49

Akasaka, Kazuyuki. "Exploring the entire conformational space of proteins by high-pressure NMR." Pure and Applied Chemistry 75, no. 7 (2003): 927–36. http://dx.doi.org/10.1351/pac200375070927.

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A protein in solution is a thermodynamic entity, spanning, in principle, the entire allowed conformational space from the fully folded N to the fully unfolded U. Although some alternately or partially folded higher-energy conformers may coexist with N and U, they are seldom detected spectroscopically because their populations are usually quite low under physiological conditions. I describe here a new type of experiment, a combination of multidimensional NMR spectroscopy with pressure, that is capable of detecting and analyzing structures and thermodynamic stability of these higher-energy confo

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50

Benoit-Vical, Françoise, Joël Lelièvre, Antoine Berry, et al. "Trioxaquines Are New Antimalarial Agents Active on All Erythrocytic Forms, Including Gametocytes." Antimicrobial Agents and Chemotherapy 51, no. 4 (2007): 1463–72. http://dx.doi.org/10.1128/aac.00967-06.

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ABSTRACT Malaria is the third most significant cause of infectious disease in the world. The search for new antimalarial chemotherapy has become increasingly urgent due to parasite resistance to classical drugs. Trioxaquines are synthetic hybrid molecules containing a trioxane motif (which is responsible for the antimalarial activity of artemisinin) linked to an aminoquinoline entity (which is responsible for the antiplasmodial properties of chloroquine). These trioxaquines are highly potent against young erythrocytic stages of Plasmodium falciparum and exhibit efficient activity in vitro agai

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