Development of an Antibiotic Policy in a Zoological Medicine Service and Approach to Antibiotic Dosing Using Minimum Inhibitory Concentration Data Stephen J
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Virtual Screening of Inhibitors Against Envelope Glycoprotein of Chikungunya Virus: a Drug Repositioning Approach
www.bioinformation.net Research Article Volume 15(6) Virtual screening of inhibitors against Envelope glycoprotein of Chikungunya Virus: a drug repositioning approach Garima Agarwal1, Sanjay Gupta1, Reema Gabrani1, Amita Gupta2, Vijay Kumar Chaudhary2, Vandana Gupta3* 1Center for Emerging Diseases, Department of Biotechnology, Jaypee Institute of Information Technology, Noida, UP 201309, India: 2Centre for Innovation in Infectious Disease Research, Education and Training, University of Delhi South Campus, Benito Juarez Marg, New Delhi 110021, India: 3Department of Microbiology, Ram Lal Anand College, University of Delhi South Campus (UDSC), Benito Juarez Marg, New Delhi 110021, India. Vandana Gupta – E-mail: [email protected]; Phone: +91 7838004880 Received April 1, 2019; Accepted April 16, 2019; Published June 15, 2019 DOI: 10.6026/97320630015439 Abstract: Chikungunya virus (CHIKV) a re-emerging mosquito-borne alpha virus causes significant distress which is further accentuated in the lack of specific therapeutics or a preventive vaccine, mandating accelerated research for anti-CHIKV therapeutics. In recent years, drug repositioning has gained recognition for the curative interventions for its cost and time efficacy. CHIKV envelope proteins are considered to be the promising targets for drug discovery because of their essential role in viral attachment and entry in the host cells. In the current study, we propose structure-based virtual screening of drug molecule on the crystal structure of mature Chikungunya envelope protein (PDB 3N41) using a library of FDA approved drug molecules. Several cephalosporin drugs docked successfully within two binding sites prepared at E1-E2 interface of CHIKV envelop protein complex with significantly low binding energies. Cefmenoxime, ceforanide, cefotetan, cefonicid sodium and cefpiramide were identified as top leads with a cumulative score of -67.67, -64.90, -63.78, -61.99, and - 61.77, forming electrostatic, hydrogen and hydrophobic bonds within both the binding sites. -
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VOLUME 7 NOMOR 2 DESEMBER 2020 ISSN 2548 – 611X JURNAL BIOTEKNOLOGI & BIOSAINS INDONESIA Homepage Jurnal: http://ejurnal.bppt.go.id/index.php/JBBI IN SILICO STUDY OF CEPHALOSPORIN DERIVATIVES TO INHIBIT THE ACTIONS OF Pseudomonas aeruginosa Studi In Silico Senyawa Turunan Sefalosporin dalam Menghambat Aktivitas Bakteri Pseudomonas aeruginosa Saly Amaliacahya Aprilian*, Firdayani, Susi Kusumaningrum Pusat Teknologi Farmasi dan Medika, BPPT, Gedung LAPTIAB 610-612 Kawasan Puspiptek, Setu, Tangerang Selatan, Banten 15314 *Email: [email protected] ABSTRAK Infeksi yang diakibatkan oleh bakteri gram-negatif, seperti Pseudomonas aeruginosa telah menyebar luas di seluruh dunia. Hal ini menjadi ancaman terhadap kesehatan masyarakat karena merupakan bakteri yang multi-drug resistance dan sulit diobati. Oleh karena itu, pentingnya pengembangan agen antimikroba untuk mengobati infeksi semakin meningkat dan salah satu yang saat ini banyak dikembangkan adalah senyawa turunan sefalosporin. Penelitian ini melakukan studi mengenai interaksi tiga dimensi (3D) antara antibiotik dari senyawa turunan Sefalosporin dengan penicillin-binding proteins (PBPs) pada P. aeruginosa. Tujuan dari penelitian ini adalah untuk mengklarifikasi bahwa agen antimikroba yang berasal dari senyawa turunan sefalosporin efektif untuk menghambat aktivitas bakteri P. aeruginosa. Struktur PBPs didapatkan dari Protein Data Bank (PDB ID: 5DF9). Sketsa struktur turunan sefalosporin digambar menggunakan Marvins Sketch. Kemudian, studi mengenai interaksi antara antibiotik dan PBPs dilakukan menggunakan program Mollegro Virtual Docker 6.0. Hasil yang didapatkan yaitu nilai rerank score terendah dari kelima generasi sefalosporin, di antaranya sefalotin (-116.306), sefotetan (-133.605), sefoperazon (-160.805), sefpirom (- 144.045), dan seftarolin fosamil (-146.398). Keywords: antibiotik, penicillin-binding proteins, P. aeruginosa, sefalosporin, studi interaksi ABSTRACT Infections caused by gram-negative bacteria, such as Pseudomonas aeruginosa, have been spreading worldwide. -
Prediction of Premature Termination Codon Suppressing Compounds for Treatment of Duchenne Muscular Dystrophy Using Machine Learning
Prediction of Premature Termination Codon Suppressing Compounds for Treatment of Duchenne Muscular Dystrophy using Machine Learning Kate Wang et al. Supplemental Table S1. Drugs selected by Pharmacophore-based, ML-based and DL- based search in the FDA-approved drugs database Pharmacophore WEKA TF 1-Palmitoyl-2-oleoyl-sn-glycero-3- 5-O-phosphono-alpha-D- (phospho-rac-(1-glycerol)) ribofuranosyl diphosphate Acarbose Amikacin Acetylcarnitine Acetarsol Arbutamine Acetylcholine Adenosine Aldehydo-N-Acetyl-D- Benserazide Acyclovir Glucosamine Bisoprolol Adefovir dipivoxil Alendronic acid Brivudine Alfentanil Alginic acid Cefamandole Alitretinoin alpha-Arbutin Cefdinir Azithromycin Amikacin Cefixime Balsalazide Amiloride Cefonicid Bethanechol Arbutin Ceforanide Bicalutamide Ascorbic acid calcium salt Cefotetan Calcium glubionate Auranofin Ceftibuten Cangrelor Azacitidine Ceftolozane Capecitabine Benserazide Cerivastatin Carbamoylcholine Besifloxacin Chlortetracycline Carisoprodol beta-L-fructofuranose Cilastatin Chlorobutanol Bictegravir Citicoline Cidofovir Bismuth subgallate Cladribine Clodronic acid Bleomycin Clarithromycin Colistimethate Bortezomib Clindamycin Cyclandelate Bromotheophylline Clofarabine Dexpanthenol Calcium threonate Cromoglicic acid Edoxudine Capecitabine Demeclocycline Elbasvir Capreomycin Diaminopropanol tetraacetic acid Erdosteine Carbidopa Diazolidinylurea Ethchlorvynol Carbocisteine Dibekacin Ethinamate Carboplatin Dinoprostone Famotidine Cefotetan Dipyridamole Fidaxomicin Chlormerodrin Doripenem Flavin adenine dinucleotide -
Ramiro Isaza, DVM, MS, MPH, DACZM (Updated October 29, 2013)
Curriculum Vitae Ramiro Isaza, DVM, MS, MPH, DACZM (Updated October 29, 2013) PRESENT POSITION: Associate Professor of Zoological Medicine (Graduate Faculty Member) CONTACT INFORMATION: ACADEMIC ADDRESS Department of Small Animal Clinical Sciences College of Veterinary Medicine PO Box 100126 University of Florida Gainesville, Florida 32610-0126 TELEPHONE (352) 294-4443 FAX (352) 392-6125 E-MAIL [email protected] EDUCATION: MPH 2011 College of Public Health and Health Professions University of Florida Gainesville, Florida MS 1993 College of Veterinary Medicine University of Florida Gainesville, Florida DVM 1988 New York State College of Veterinary Medicine Cornell University Ithaca, New York BS 1983 Zoology, with High Honors University of Florida Gainesville, Florida AA/AS 1979 Zoo Keeper Training Program Santa Fe Community College Gainesville, Florida POST-GRADUATE TRAINING IN ZOOLOGICAL MEDICINE: Residency 1992 Wildlife and Zoological Medicine College of Veterinary Medicine University of Florida Gainesville, Florida Internship 1990 Zoological Medicine Riverbanks Zoological Park Columbia, SC Ramiro Isaza Page 2 BOARD CERTIFICATION: Diplomate (#40 / 127) 1996 American College of Zoological Medicine VETERINARY LICENSURES: Florida, California APPOINTMENTS AND PROFESSIONAL EXPERIENCE: 2007-present Associate Professor Zoological Medicine Service Department of Small Animal Clinical Sciences College of Veterinary Medicine, University of Florida Gainesville, Florida 2003-2007 Assistant Professor Zoological Medicine Service Department of Small Animal -
595 PART 441—PENEM ANTIBIOTIC DRUGS Subpart A—Bulk Drugs
Food and Drug Administration, HHS § 441.20a (6) pH. Proceed as directed in § 436.202 imipenem per milliliter at 25 °C is ¶85° of this chapter, using an aqueous solu- to ¶95° on an anhydrous basis. tion containing 60 milligrams per mil- (vi) It gives a positive identity test. liliter. (vii) It is crystalline. (7) Penicillin G content. Proceed as di- (2) Labeling. It shall be labeled in ac- rected in § 436.316 of this chapter. cordance with the requirements of (8) Crystallinity. Proceed as directed § 432.5 of this chapter. in § 436.203(a) of this chapter. (3) Requests for certification; samples. (9) Heat stability. Proceed as directed In addition to complying with the re- in § 436.214 of this chapter. quirements of § 431.1 of this chapter, [42 FR 59873, Nov. 22, 1977; 43 FR 2393, Jan. 17, each such request shall contain: 1978, as amended at 45 FR 22922, Apr. 4, 1980; (i) Results of tests and assays on the 50 FR 19918, 19919, May 13, 1985] batch for potency, sterility, pyrogens, loss on drying, specific rotation, iden- PART 441ÐPENEM ANTIBIOTIC tity, and crystallinity. DRUGS (ii) Samples, if required by the Direc- tor, Center for Drug Evaluation and Subpart AÐBulk Drugs Research: (a) For all tests except sterility: 10 Sec. 441.20a Sterile imipenem monohydrate. packages, each containing approxi- mately 500 milligrams. Subpart BÐ[Reserved] (b) For sterility testing: 20 packages, each containing equal portions of ap- Subpart CÐInjectable Dosage Forms proximately 300 milligrams. 441.220 Imipenem monohydrate-cilastatin (b) Tests and methods of assayÐ(1) Po- sodium injectable dosage forms. -
Consideration of Antibacterial Medicines As Part Of
Consideration of antibacterial medicines as part of the revisions to 2019 WHO Model List of Essential Medicines for adults (EML) and Model List of Essential Medicines for children (EMLc) Section 6.2 Antibacterials including Access, Watch and Reserve Lists of antibiotics This summary has been prepared by the Health Technologies and Pharmaceuticals (HTP) programme at the WHO Regional Office for Europe. It is intended to communicate changes to the 2019 WHO Model List of Essential Medicines for adults (EML) and Model List of Essential Medicines for children (EMLc) to national counterparts involved in the evidence-based selection of medicines for inclusion in national essential medicines lists (NEMLs), lists of medicines for inclusion in reimbursement programs, and medicine formularies for use in primary, secondary and tertiary care. This document does not replace the full report of the WHO Expert Committee on Selection and Use of Essential Medicines (see The selection and use of essential medicines: report of the WHO Expert Committee on Selection and Use of Essential Medicines, 2019 (including the 21st WHO Model List of Essential Medicines and the 7th WHO Model List of Essential Medicines for Children). Geneva: World Health Organization; 2019 (WHO Technical Report Series, No. 1021). Licence: CC BY-NC-SA 3.0 IGO: https://apps.who.int/iris/bitstream/handle/10665/330668/9789241210300-eng.pdf?ua=1) and Corrigenda (March 2020) – TRS1021 (https://www.who.int/medicines/publications/essentialmedicines/TRS1021_corrigenda_March2020. pdf?ua=1). Executive summary of the report: https://apps.who.int/iris/bitstream/handle/10665/325773/WHO- MVP-EMP-IAU-2019.05-eng.pdf?ua=1. -
The Current Case of Quinolones: Synthetic Approaches and Antibacterial Activity
molecules Review The Current Case of Quinolones: Synthetic Approaches and Antibacterial Activity Abdul Naeem 1, Syed Lal Badshah 1,2,*, Mairman Muska 1, Nasir Ahmad 2 and Khalid Khan 2 1 National Center of Excellence in Physical Chemistry, University of Peshawar, Peshawar, Khyber Pukhtoonkhwa 25120, Pakistan; [email protected] (A.N.); [email protected] (M.M.) 2 Department of Chemistry, Islamia College University Peshawar, Peshawar, Khyber Pukhtoonkhwa 25120, Pakistan; [email protected] (N.A.); [email protected] (K.K.) * Correspondence: [email protected]; Tel.: +92-331-931-6672 Academic Editor: Peter J. Rutledge Received: 23 December 2015 ; Accepted: 15 February 2016 ; Published: 28 March 2016 Abstract: Quinolones are broad-spectrum synthetic antibacterial drugs first obtained during the synthesis of chloroquine. Nalidixic acid, the prototype of quinolones, first became available for clinical consumption in 1962 and was used mainly for urinary tract infections caused by Escherichia coli and other pathogenic Gram-negative bacteria. Recently, significant work has been carried out to synthesize novel quinolone analogues with enhanced activity and potential usage for the treatment of different bacterial diseases. These novel analogues are made by substitution at different sites—the variation at the C-6 and C-8 positions gives more effective drugs. Substitution of a fluorine atom at the C-6 position produces fluroquinolones, which account for a large proportion of the quinolones in clinical use. Among others, substitution of piperazine or methylpiperazine, pyrrolidinyl and piperidinyl rings also yields effective analogues. A total of twenty six analogues are reported in this review. The targets of quinolones are two bacterial enzymes of the class II topoisomerase family, namely gyrase and topoisomerase IV. -
Belgian Veterinary Surveillance of Antibacterial Consumption National
Belgian Veterinary Surveillance of Antibacterial Consumption National consumption report 2020 Publication : 22 June 2021 1 SUMMARY This annual BelVet-SAC report is now published for the 12th time and describes the antimicrobial use (AMU) in animals in Belgium in 2020 and the evolution since 2011. For the third year this report combines sales data (collected at the level of the wholesalers-distributors and the compound feed producers) and usage data (collected at farm level). This allows to dig deeper into AMU at species and farm level in Belgium. With a consumption of 87,6 mg antibacterial compounds/kg biomass an increase of +0.2% is seen in 2020 in comparison to 2019. The increase seen in 2020 is spread over both pharmaceuticals (+0.2%) and antibacterial premixes (+4.0%). This unfortunately marks the end of a successful reduction in antibacterial product sales that was seen over the last 6 years resulting in a cumulative reduction of -40,2% since 2011. The gap seen in the coverage of the sales data with the Sanitel-Med collected usage data increased substantially compared to 2019, meaning continuous efforts need to be taken to ensure completeness of the collected usage data. When looking at the evolution in the number of treatment days (BD100) at the species level, as calculated from the SANITEL- MED use data, use increased in poultry (+5,0%) and veal calves (+1,9%), while it decreased in pigs (-3,1%). However, the numerator data for this indicator remain to be updated for 2020, potentially influencing the reliability of the result. -
Effect of Storage Temperature and Ph on the Stability of Antimicrobial Agents in MIC Trays JONZ-MEI DEBRA HWANG, TONI E
JOURNAL OF CLINICAL MICROBIOIOGY, May 1986. p. 959-961 Vol. 23, No. S 0095-1137/86/050959-03$02.00/0 Copyright © 1986. American Society for Microbiology Effect of Storage Temperature and pH on the Stability of Antimicrobial Agents in MIC Trays JONZ-MEI DEBRA HWANG, TONI E. PICCININI, CLAUDIA J. LAMMEL, W. KEITH HADLEY, AND GEO F. BROOKS* Departnent of Laboratorv Medicine, University of Califo)r-nia, Sani Friancisco, Califorzia 94143 Received 25 November 1985/Accepted 15 January 1986 Twelve antimicrobial agents, ampicillin, aztreonam, cefamandole, cefazolin, cefonicid, ceforanide, ceftazi- dime, ceftizoxime, ceftriaxone, cefuroxime, ciprofloxacin, and norfloxacin, were prepared at pH 6.80 and 7.31 in microdilution trays for storage at 4, -10, -25, and -70°C and for weekly susceptibility testing. All 12 drugs had stable biological activity when stored at -70°C for I year. All but ampicillin and aztreonam were stable at -25°C. Storage at -10°C was least satisfactory. Desiccation occurred at 40C, but short-term storage at this temperature is possible since the antimicrobial agents are stable for up to several months. The routine use of microdilution trays for antimicrobial aireius ATCC 29213, Escherichia (oli ATCC 25922. and susceptibility testing requires a knowledge of the stability of Pseuidomizonas aeruigin.osa ATCC 27853, were the same as in the antimicrobial agents when stored at different tempera- the previous study (1). These bacteria had at least one and tures. A previous report from our laboratory showed data for usually two endpoints within the range of drug concentra- 11 beta-lactams prepared at two pHs and stored at four tions selected. -
A Thesis Entitled an Oral Dosage Form of Ceftriaxone Sodium Using Enteric
A Thesis entitled An oral dosage form of ceftriaxone sodium using enteric coated sustained release calcium alginate beads by Darshan Lalwani Submitted to the Graduate Faculty as partial fulfillment of the requirements for the Master of Science Degree in Pharmaceutical Sciences with Industrial Pharmacy Option _________________________________________ Jerry Nesamony, Ph.D., Committee Chair _________________________________________ Sai Hanuman Sagar Boddu, Ph.D, Committee Member _________________________________________ Youssef Sari, Ph.D., Committee Member _________________________________________ Patricia R. Komuniecki, PhD, Dean College of Graduate Studies The University of Toledo May 2015 Copyright 2015, Darshan Narendra Lalwani This document is copyrighted material. Under copyright law, no parts of this document may be reproduced without the expressed permission of the author. An Abstract of An oral dosage form of ceftriaxone sodium using enteric coated sustained release calcium alginate beads by Darshan Lalwani Submitted to the Graduate Faculty as partial fulfillment of the requirements for the Master of Science Degree in Pharmaceutical Sciences with Industrial Pharmacy option The University of Toledo May 2015 Purpose: Ceftriaxone (CTZ) is a broad spectrum semisynthetic, third generation cephalosporin antibiotic. It is an acid labile drug belonging to class III of biopharmaceutical classification system (BCS). It can be solvated quickly but suffers from the drawback of poor oral bioavailability owing to its limited permeability through -
February 2013
Wildlife Veterinary Section Wildlife Disease Association February 2013 Volume 2, Issue 1 Promoting the application of veterinary science to the conservation and management of wildlife health Please mark your calendars and join us for a joint WDA- and disease. WVS/AAWV session at the 2013 WDA meeting in Knoxville, TN 27 July – 2 August 2013: Meet the WVS Board 2 http://fwf.ag.utk.edu/WDA2013/ Members The session is titled “Integrating clinical veterinary science in Treasurer’s Report 5 wildlife conservation”. We are seeking submissions for oral presentations on wildlife anesthesia and analgesia, wildlife re- lated surgery, and best clinical practices for wildlife. Please WVS Survey Monkey 6 Results contact Dr. Jon Arnemo for additional information. The dead- line for submissions is 1 April 2013. Upcoming Wildlife 8 Meetings WVS Objectives 9 WDA—WVS Officers Chairman: Jon M. Arnemo, [email protected] Secretary: Anne Justice-Allen, [email protected] Treasurer: Nadine Lamberski, nlamberski@sandiego zoo.org Student Representative: Tom Vowell, [email protected] WVS Notes: Newsletter Editor: Kevin Castle, Have you paid your WDA membership dues AND donated to [email protected] the WVS? If not, please do so today. Volume 2, Issue 1 Wildlife Disease Association Wildlife Veterinary Section Page 2 MEET THE WVS BOARD MEMBERS We are pleased to introduce our WVS Advisory Board Members. These individuals have volunteered to provide the WVS Officers with input to decisions that affect the Section Membership, and to provide guid- ance on the direction and goals of WVS. Each Board member brings unique insights to the issues we face, while embracing the core objectives of the Section. -
Supplementary Materials Comparison of Sample Preparations For
Supplementary Materials Comparison of sample preparations for determining the veterinary drug residues using liquid chromatography-tandem mass spectrometry in fishery products. Joohye Kima, Hyunjin Parka, Hui-Seung Kang*a a Pesticide and Veterinary Drug Residues Division, National Institute of Food and Drug Safety Evaluation, Osong, Chungcheongbuk-do 363-700, South Korea Table S1. Manufacturer of standards Compounds Manufacturer Compounds Manufacturer 4-MAP Albendazole Fluka (4-methylamino antipyrine) Sigma-Aldrich 2-Amino albendazole sulfone Dr. Ehrenstorfer Sarafloxacin Dr. Ehrenstorfer Albendazole sulfone Sigma-Aldrich Orbifloxacin Dr. Ehrenstorfer Albendazole sulfoxide Sigma-Aldrich Carbadox Sigma-Aldrich QCA Febantel Dr. Ehrenstorfer (Quinoxaline-2-carboxylic acid) Sigma-Aldrich Fenbendazole Sigma-Aldrich Olaquindox Wako MQCA Flubendazole Dr. Ehrenstorfer (3-methylquinoxaline-2- Sigma-Aldrich carboxylic acid) 2-amino flubendazole Sigma-Aldrich Dapsone Dr. Ehrenstorfer Oxfendazole Dr. Ehrenstorfer N-acethyl dapsone TRC Oxfendazole sulfone Wako Sulfapyridine Sigma-Aldrich Oxibendazole Sigma-Aldrich Arprinocid TRC Cefapirin Fluka Azaperol Sigma-Aldrich Desacetylcefapirin TRC Azaperon Fluka Cefazoline USP Carazolol Dr. Ehrenstorfer Cefoperazone USP Caffeine Sigma-Aldrich Halofuginone Sigma-Aldrich Clenbuterol Dr. Ehrenstorfer Azithromycin USP Colchicine Sigma-Aldrich Tildipirosin TRC Diphenhydramine Sigma-Aldrich Dimetridazole Dr. Ehrenstorfer Flunixin Dr. Ehrenstorfer Ipronidazole Sigma-Aldrich Imidocarb Dr. Ehrenstorfer Ipronidazole-OH