PHYTOCHEMISTRY and PHARMACOGNOSY - Contents
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Biomolecules
biomolecules Communication MBLinhibitors.com, a Website Resource Offering Information and Expertise for the Continued Development of Metallo-β-Lactamase Inhibitors Zishuo Cheng 1, Caitlyn A. Thomas 1, Adam R. Joyner 2, Robert L. Kimble 1, Aidan M. Sturgill 1 , Nhu-Y Tran 1, Maya R. Vulcan 1, Spencer A. Klinsky 1, Diego J. Orea 1, Cody R. Platt 2, Fanpu Cao 2, Bo Li 2, Qilin Yang 2, Cole J. Yurkiewicz 1, Walter Fast 3 and Michael W. Crowder 1,* 1 Department of Chemistry and Biochemistry, Miami University, Oxford, OH 45056, USA; [email protected] (Z.C.); [email protected] (C.A.T.); [email protected] (R.L.K.); [email protected] (A.M.S.); [email protected] (N.-Y.T.); [email protected] (M.R.V.); [email protected] (S.A.K.); [email protected] (D.J.O.); [email protected] (C.J.Y.) 2 Department of Computer Science and Software Engineering, Miami University, Oxford, OH 45056, USA; [email protected] (A.R.J.); [email protected] (C.R.P.); [email protected] (F.C.); [email protected] (B.L.); [email protected] (Q.Y.) 3 Division of Chemical Biology and Medicinal Chemistry, College of Pharmacy and the LaMontagne Center for Infectious Disease, University of Texas, Austin, TX 78712, USA; [email protected] * Correspondence: [email protected]; Tel.: +1-513-529-2813 Received: 17 February 2020; Accepted: 12 March 2020; Published: 16 March 2020 Abstract: In an effort to facilitate the discovery of new, improved inhibitors of the metallo-β-lactamases (MBLs), a new, interactive website called MBLinhibitors.com was developed. -
Recreating Ancient Metabolic Pathways Before Enzymes Kamila B
Recreating ancient metabolic pathways before enzymes Kamila B. Muchowska, Elodie Chevallot-Beroux, Joseph Moran To cite this version: Kamila B. Muchowska, Elodie Chevallot-Beroux, Joseph Moran. Recreating ancient metabolic path- ways before enzymes. Bioorganic and Medicinal Chemistry, Elsevier, 2019, 27 (12), pp.2292-2297. 10.1016/j.bmc.2019.03.012. hal-02516541 HAL Id: hal-02516541 https://hal.archives-ouvertes.fr/hal-02516541 Submitted on 23 Mar 2020 HAL is a multi-disciplinary open access L’archive ouverte pluridisciplinaire HAL, est archive for the deposit and dissemination of sci- destinée au dépôt et à la diffusion de documents entific research documents, whether they are pub- scientifiques de niveau recherche, publiés ou non, lished or not. The documents may come from émanant des établissements d’enseignement et de teaching and research institutions in France or recherche français ou étrangers, des laboratoires abroad, or from public or private research centers. publics ou privés. Graphical Abstract To create your abstract, type over the instructions in the template box below. Fonts or abstract dimensions should not be changed or altered. Recreating ancient metabolic pathways Leave this area blank for abstract info. before enzymes Kamila B. Muchowskaa* , Elodie Chevallot-Berouxa, and Joseph Morana* University of Strasbourg, CNRS, ISIS UMR 7006, 67000 Strasbourg, France Bioorganic & Medicinal Chemistry journal homepage: www.elsevier.com Recreating ancient metabolic pathways before enzymes Kamila B. Muchowska,a* Elodie Chevallot-Beroux,a and Joseph Morana* a University of Strasbourg, CNRS, ISIS UMR 7006, 67000 Strasbourg, France. ARTICLE INFO ABSTRACT Article history: The biochemistry of all living organisms uses complex, enzyme-catalyzed metabolic reaction Received networks. -
Pharmacognosy, Phytochemical Study and Antioxidant Activity of Sterculia Rubiginosa Zoll
Pharmacogn J. 2018; 10(3):571-575. A Multifaceted Journal in the field of Natural Products and Pharmacognosy Original Article www.phcogj.com | www.journalonweb.com/pj | www.phcog.net Pharmacognosy, Phytochemical Study and Antioxidant Activity of Sterculia rubiginosa Zoll. Ex Miq. Leaves Rini Prastiwi1,2*, Berna Elya2, Rani Sauriasari3, Muhammad Hanafi4, Ema Dewanti1 ABSTRACT Introduction: Sterculia rubiginosa Zoll ex.Miq leaves have been used as traditional medicine in Indonesia. There is no report about pharmacognosy and phytochemical study with this plant.Objective: The main aim of this research is to establish pharmacognosy, phytochemical study and antioxidant activity of Sterculia rubiginosa Zoll.ex. Miq. Leaves. The plant used to cure many diseases of Indonesia. Methods: In the present study, pharmacognosy and phyto- 1,2* chemical study of plant material were performed as per the Indonesian Herb Pharmacopoeia. Rini Prastiwi , Berna Results: Microscopy powder of Sterculia rubiginosa Zoll.ex. Miq. Leaves shows star shape Elya2, Rani Sauriasari3, trichoma as a specific fragment. Physicochemical parameters including total ash (17.152 %), Muhammad Hanafi4, acid-insoluble ash (0.922 %), water-soluble extractive (1.610 % w/w), alcohol-soluble extractive Ema Dewanti1 (4.524 % w/w), hexane-soluble extractive (4.005 % w/w), and ethyl acetate-soluble extractive (3.160 % w/w) were evaluated. Phytochemical screening of ethanol extracts showed the 1Department of Pharmacognosy- presence of tannins, flavonoids, alkaloids, steroids-terpenoids, glycosides, and phenols. And Phytochemistry, Faculty of Pharmacy absent of saponins and Anthraquinones. Antioxidant activity with IC50 157, 4665 ppm and and Science Muhammadiyah Prof.Dr. flavonoid total was 59.436 mg/g quercetin equivalent. -
Combinatorial Chemistry: a Guide for Librarians
City University of New York (CUNY) CUNY Academic Works Publications and Research City College of New York 2002 Combinatorial Chemistry: A Guide for Librarians Philip Barnett CUNY City College How does access to this work benefit ou?y Let us know! More information about this work at: https://academicworks.cuny.edu/cc_pubs/266 Discover additional works at: https://academicworks.cuny.edu This work is made publicly available by the City University of New York (CUNY). Contact: [email protected] Issues in Science and Technology Librarianship Winter 2002 DOI:10.5062/F4DZ0690 URLs in this document have been updated. Links enclosed in{curly brackets} have been changed. If a replacement link was located, the new URL was added and the link is active; if a new site could not be identified, the broken link was removed. Combinatorial Chemistry: A Guide for Librarians Philip Barnett Associate Professor and Science Reference Librarian Science/Engineering Library City College of New York (CUNY) [email protected] Abstract In the 1980s a need to synthesize many chemical compounds rapidly and inexpensively spawned a new branch of chemistry known as combinatorial chemistry. While the techniques of this rapidly growing field are used primarily to find new candidate drugs, combinatorial chemistry is also finding other applications in various fields such as semiconductors, catalysts, and polymers. This guide for librarians explains the basics of combinatorial chemistry and elucidates the key information sources needed by combinatorial chemists. Introduction Most librarians who serve chemists or chemistry students are familiar with the six main disciplines of chemistry. These are: Physical chemistry applies the fundamental laws of physics, such as thermodynamics, electricity, and quantum mechanics, to explain chemical behavior. -
Sources of Crude Drug, Plant Families, Biogenesis of Phytochemicals
1 Sources of Crude Drug, Plant Families, Biogenesis of Phytochemicals SOURCES OF CRUDE DRUG Plant Oldest source of drugs. 25% of the drugs prescribed worldwide come from plants More than 200 drugs considered as basic and essential by the World Health Organisation (WHO) Significant number of synthetic drugs obtained from natural precursors. Example: Digoxin from Digitalis species, quinine and quinidine from Cinchona species, vincristrine and vinblastine from Catharanthus roseus, atropine from Atropa belladonna and morphine and codeine from Papaver somniferum. Animal Second largest source of crude drugs. Example: Honey from honeybee, beeswax from bees, cod liver oil from shark, bufalin from toad, animal pancreas is a source of Insulin, musk oil from musk, spermaceti wax from sperm whale, woolfat from sheep, carminic acid from colchineal, venoms from snake Mineral Highly purified form of naturally occurring mineral substances is used in medicine Example: Sulphur is a key ingredient in certain bacteriostatic drugs, shilajit is used as tonic, calamine is used as anti-itching agent Marine Major part of earth is covered with water bodies and hence bioactive compounds from marine flora and fauna (microorganisms, algae, fungi, invertebrates, and 1 Contd… 2 Pharmacognosy and Phytochemistry: A Companion Handbook vertebrates) have extensive past and present use in the treatment of many diseases Marine Serve as compounds of interest both in their natural form and as templates for synthetic modification. Several molecules isolated from various -
Medicinal Chemistry & Analysis
M. Surendra et al. / IJMCA / Vol 2 / Issue 1 / 2012 / 12-30. International Journal of Medicinal Chemistry & Analysis www.ijmca.com e ISSN 2249 - 7587 Print ISSN 2249 - 7595 A REVIEW ON BASIC CHROMATOGRAPHIC TECHNIQUES *M. Surendra, T. Yugandharudu, T. Viswasanthi Nirmala College of Pharmacy, Buddayapalle (P), Kadapa - 516002, Andhra Pradesh, India. ABSTRACT This article presents a review of basic chromatographic techniques applied to the determination of various pharmaceuticals is discussed. It describes about various Chromatographic techniques and is usage. Also it briefly describes about the instruments, methods used in it. Chromatographic separations can be carried out using a variety of supports, including immobilized silica on glass plates (thin layer chromatography), volatile gases (gas chromatography), paper (paper chromatography), and liquids which may incorporate hydrophilic, insoluble molecules (liquid chromatography). Keywords: Chromatography, HPLC, TLC, GC, Method development, Validation. INTRODUCTION Chromatography is the science which is studies which must be purified for use as "biopharmaceuticals" or the separation of molecules based on differences in their medicines. It is important to remember, however, that structure and/or composition. In general, chromatography chromatography can also be applied to the separation of involves moving a preparation of the materials to be other important molecules including nucleic acids, separated - the "test preparation" - over a stationary carbohydrates, fats, vitamins, and more. support. The molecules in the test preparation will have One of the important goals of biotechnology is different interactions with the stationary support leading to the production of the therapeutic molecules known as separation of similar molecules. Test molecules which "biopharmaceuticals," or medicines [2]. There are a display tighter interactions with the support will tend to number of steps that researchers go through to reach this move more slowly through the support than those goal: molecules with weaker interactions. -
European Journal of Medicinal Chemistry
EUROPEAN JOURNAL OF MEDICINAL CHEMISTRY AUTHOR INFORMATION PACK TABLE OF CONTENTS XXX . • Description p.1 • Audience p.1 • Impact Factor p.1 • Abstracting and Indexing p.2 • Editorial Board p.2 • Guide for Authors p.3 ISSN: 0223-5234 DESCRIPTION . The European Journal of Medicinal Chemistry is a global journal that publishes studies on the main aspects of medicinal chemistry. It provides a medium for publication of original research papers and also welcomes critical review papers. A typical paper would report on the design (with or without the support of computational methods), organic synthesis, characterization and biochemical/pharmacological evaluation of novel, potent compounds preferentially with a clear (or proven) mechanism of action and/or target. Other topics of interest are molecular aspects of drug metabolism, prodrug synthesis and drug targeting. The journal expects manuscripts to present a clear rational for a study, provide insight into the strategy and design of compounds and into the mechanism of action, and biological targets. Manuscripts reporting only computational studies are out-of-scope unless a new method (broadly applicable, validated and available to the community) is reported. Authors are kindly invited to look to published articles for the scope of the journal and the organisation of papers. Benefits to authors We also provide many author benefits, such as free PDFs, a liberal copyright policy, special discounts on Elsevier publications, language services and much more. Please click here for more information on our author services.Please see our Guide for Authors for information on article submission. If you require any further information or help, please visit our Support Center AUDIENCE . -
What Is Medicinal Chemistry
Unit 1 Prepared By: Neetu Sabarwal Department of Pharmaceutical Chemistry SOS Pharmaceutical Sciences Jiwaji University. Gwalior Content INTRODUCTION TO MEDICINAL CHEMISTRY • History and development of medicinal chemistry Physicochemical properties in relation to biological action • Ionization, Solubility, Partition Coefficient, Hydrogen bonding, Protein binding, Chelation, • Bioisosterism, Optical and Geometrical isomerism. Drug metabolism • Drug metabolism principles- Phase I and Phase II. • Factors affecting drug metabolism including stereo chemical aspects. CHEMISTRY What is Chemistry? • Chemistry is known as the central of science. • It is a branch of physical science that studies the composition, structure, properties and changes of matter. • MATTER = Solid / Liquid/ Gas. BRANCHES OF CHEMISTRY PHYSICAL CHEMISTRY • the branch of chemistry concerned with the application of the techniques and theories of physics to the study of chemical systems. • Branches : chemical Kinetics, Electrochemistry, spectroscopy, photochemistry. INORGANIC CHEMISTRY • deals with the synthesis and behaviour of inorganic and organometallic compounds • Branches :Bioinorganic, Cluster, Material & Nuclear Chemistry ORGANIC CHEMISTRY • study of the structure, properties, and reactions of organic compounds and organic materials, i.e., matter in its various forms that contain carbon atoms. • Branches : Biochemistry, biophysical, Biorganic, P’ceutical, Medicinal WHAT IS MEDICINAL CHEMISTRY • It is a discipline or intersection of chemistry especially synthetic organic -
Pharmacognosy: Science of Natural Products in Drug Discovery Ilkay Erdogan Orhan* Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, Ankara, Turkey
Orhan, BioImpacts, 2014, 4(3), 109-110 doi: 10.15171/bi.2014.001 TUOMS http://bi.tbzmed.ac.ir/ Publishing BioImpacts Group Editorial Pharmacognosy: Science of natural products in drug discovery Ilkay Erdogan Orhan* Department of Pharmacognosy, Faculty of Pharmacy, Gazi University, Ankara, Turkey A R T I C L E I N F O Summary AUTHOR B I O S K E T C H Article History: Pharmacognosy deals with the natural drugs obtained from Prof. Dr. Orhan obtained her Received: 15 Sep. 2014 organisms such as most plants, microbes, and animals. Up to PhD degree in Accepted: 21 Sep. 2014 date, many important drugs including morphine, atropine, Pharmacognosy ePublished: 22 Sep. 2014 from Faculty galanthamine, etc. have originated from natural sources which of Pharmacy, continue to be good model molecules in drug discovery. Gazi University, Ankara, Turkey Keywords: Traditional medicine is also a part of pharmacognosy and most in 2002. She is Pharmacognosy of the third world countries still depend on the use of herbal Young Affiliate Representative of Natural products the Central & South Asia region medicines. Consequently, pharmacognosy always keeps its (ROCASA) of Third World Academy Herbal medicine popularity in pharmaceutical sciences and plays a critical role in of Sciences (TWAS) for the period Pharmacy of 2011-2016. She is now affiliated drug discovery. as full professor at Gazi University. Her research interests are inhibitory activity of natural products against enzymes, phytochemistry, and marine natural products. natural product is a chemical substance produced of the prescription drugs dispensed in the United States by living organisms such as plants, mushrooms, contain at least one active ingredient of plant origin.3 animals, and microorganisms. -
What to Make Next? Augmented Design
Building innovative drug discovery alliances What to make next? Augmented Design Cresset UGM, 29th June 2017 Building innovative drug discovery alliances What to make next? Augmented Design Or 2 Old blokes and a couple of buns Cresset UGM, 29th June 2017 What to make next? PAGE 2 What’s medicinal chemistry? PAGE 3 What do I make next? Lead Telemetry 1st Candidate • MPO scores comprised of: Potency MPO Solubility Score Protein binding Metabolic stability LogD Project progression PAGE 4 Good medicinal chemistry? Project Progress as a Function of Time & compound number pIC 50 Comp. 3 Comp. 4 (LLE 8.0) (LLE 8.0) First co-crystal structure delivered Structure based design: Comp. 2 - Targeting specific unconserved (LLE 7.9) Target Rapid progress increasing potency Core redesigned: cysteine residue Off Target 1 Docking based design: - Replacement of aromatic CH Off Target 2 - Introduction of axial methyl “lock” with heteroatom - Rigidification of molecule Comp. 1 - Intramolecular H-bonding (LLE 6.8) Rapidly regained potency Advanced Lead identified Ames liability removed AO liability identified No Ames liability … with drop in potency No AO activity Initial Hit (LLE 3.2) Ames liability Selectivity improved identified 6 months PAGE 5 Key tactics for early series evaluation Establishing the Pharmacophore Understanding Conformation • Determine which molecular features are driving or limiting • Assessing conformational potency landscape of hit series • Evolution of molecular • Exploration of molecular scaffolds using series features limiting -
Natural Products. a History of Success and Continuing Promise for Drug Discovery and Development
Natural Products. A History of Success and Continuing Promise for Drug Discovery and Development Gordon M. Cragg NIH Special Volunteer [email protected] David J. Newman Natural Products Branch Developmental Therapeutics Program National Cancer Institute EARLY DOCUMENTATION OF USE OF MEDICINAL PLANTS http://www.nlm.nih.gov/hmd/collections/archives/index.html • Mesopotamian ~2,600 B. C. E. • Egyptian ~ 1,800 B. C. E. • Chinese – ~1,100 B. C. E. and continuing • Indian ~ 1,000 B. C. E. and continuing • Greek ~ 500 B. C. E. Greco-Roman expertise preserved and coordinated with other traditions by Islamic cultures during the Dark Ages ~ 400-1,100 CE Avicenna. Persian pharmacist, physician, poet, philosopher author: canon medicinae – “final codification of Greco-Roman medicine” Great Moments in Pharmacy Collection APhA Traditional Medicine and Drug Discovery • 80% of the world population resides in developing countries • 80% of people in developing countries utilize plants to meet their primary health care needs • Global pop. ca. 7 billion ca. 4.5 billion people utilize plants to meet their primary health care needs Farnsworth NR, et al. Medicinal Plants in Therapy. Bull. W.H.O. 63:965-981 (1985) Fabricant and Farnsworth, EnViron. Health Perspect. 109, 69-75 (2001) Cordell and Clovard, J. Nat. Prod., 75, 514-525 (2012) Norman Farnsworth 1800s. Discovery of some active principles of major herbal preparations Newman and Cragg. Natural Product Chemistry for Drug Discovery, eds. Buss and Butler, M. S., Royal Soc. Chem., Cambridge, 2010, pp. 3-27 European chemists (apothecaries) revolutionized drug discovery and development. 1817. Sertϋrner reports isolation of morphine from Papaver somniferum. -
Introduction to Biological Chemistry
CHAPTER Introduction to Biological Chemistry Reza Karimi 1 1. Learn about the basic chemistry related to atoms and molecules. Understand the roles of orbitals and lone-pair electrons in a few common atoms (e.g., N, F, C, O) and comprehend nucleophilic/electrophilic attacks and their impact on oxidation, reduction, addition, and substitution reactions. 2. List and explain the importance of medicinal functional groups that commonly are found in drug molecules and appreciate the important roles that drug structures play in pharmaceutical sciences. 3. Understand basic concepts in acid–base theory and their roles in the structures of drug molecules. 4. Learn about salt formation, ionization, and water solubility of drug molecules, and explain the role of medici- nal functional groups in ionization, salt formation, salt hydrolysis, and water solubility of drug molecules. CHAPTER OUTLINE CHAPTER 5. Implement a series of Learning Bridge assignments at your experiential sites to bridge your didactic learning with your experiential experiences. S 1. Brønsted-Lowry acid–base: definition used to express the acidic or basic properties of acids and bases. E V 2. Buffer: a mixture of an acid and its conjugate base in a solution that causes the solution to resist a pH change. 3. Compound: a combination of two or more substances, ingredients, or elements. While the ecti J majority of drugs on the market are compounds, not all compounds are drugs. B 4. Conjugate acid: a base that has gained a proton. O 5. Conjugate base: an acid that has lost its proton. 6. Covalence: the number of covalent bonds present.