Drug Discovery and Development
Hits
Leads
Candidate
optimization
PHILIPPINE PHARMASEAS
DRUG DISCOVERY PROGRAM
Marine Drug Discovery of
•
Anti-Pain Agents from Turrid
Snails
•
Anti-Infective Agents from
Sponge – Associated
Microorganisms
Philippine Mollusk Symbiont
International Biodiversity Group (PMSICBG)
Diverse
drug
lead
compounds
from
bacterial symbionts in
tropical marine mollusks
A
research
collaboration
between
University of the Philippines Diliman,
Oregon Health and Science University,
University of Utah, Academy of Natural
Sciences of Philadelphia and Ocean
Genome Legacy Foundation, USA.
1
Drug Discovery Pipeline
2
Collection and isolation of
microorganisms
5
Novel
bioactive
compounds
High throughput bioactivity
screening
4
Chemical extraction/
Dereplication at
compound level
3
Identification of isolates/
Dereplication at producer
Isolation of Microorganisms
2,737
Marine micoorganisms in collection
Field collection of
marine sponges,
gastropods
Isolation of
morphologically distinct
colony
From database as of April 2012
Database
and
archiving of
pure isolates
Bioactivity Screening
169
78
Antimicrobial
priority
isolates
Cytotoxic
priority isolates
Neuroactive
priority isolates
11
Yields from
4,872
Antimicrobial Activity
Pseudomonas aeruginosa (PA)
Klebsiella pneumoniae (KP)
Staphylococcus aureus (SA)
Methicilin-resistant S. aureus (MRSA
Biofilm-forming S. epidermidis
Mammalian Cell Cytotoxicity
Antiviral Activity
Antifungal Activity
Candida albicans (CA)
Ampothericin-resistant C. albicans
Neuroactivity
Dorsal root ganglion assay DRG
assay events
Strategy for Finding High Value Compounds:
Purifying compounds from Sponge MMO
HPLC Conditions:
Shimadzu Prominence HPLC 1
Flow rate: 3.0mL/min
Column: Phenomenex Luna C18
250x10mm, 5μm (semi prep)
100% MeOH Diaion Fraction
1
2
3
6 7
4 5
8
9
Injected: 50 μL
Solvent system:Binary gradient,
5-100 MeOH in 45 mins
Chemical Dereplication
UV absorbance spectra
Hi-res mass spectra +
fragmention data
Compound
matches
+ bioactivity and
Isolate identity data
NMR data (H-H COSY)
Recent tool
AntiMarin
*
Database
AntiMarin – is a combined database
containing 55,000 reported terrestial
and marine natural products
Materials Science
Bioactive
compounds
and
analogues
Nano
composites
Nano
materials
Materials
Hybrid
nanocomposites
Immunoliposomes
Ionic
liquids
Magnetic Resonance Imaging
Polymeric Gd(III)-based
macromolecular MRI
contrast agents
Radiologic
pharmaceuticals
Ln(III) complexes as
spectroscopic labels
for targeted diagnostic
molecular imaging
Ln(III)-labelled secondary
metabolite peptides as
novel molecular imaging
tools of pain receptors
Reach us at . . .
www.science.upd.edu.ph
nmr@science.upd.edu.ph
UP Diliman NMR FACILITY
Service Form
USER INFORMATION
SAMPLE INFORMATION
EXPERIMENTAL INFORMATION
CONDITION/S OF USE
I understand and agree to the following:
a. That I will be billed according to the half-hourly usage of the NMR plus consumables, if any, based on
current schedule of fees.
b. Samples submitted will be disposed of after one (1) month of processing if not claimed.
c. Data files of processed samples will be disposed of after one (1) month of processing.
d. A minimum basic half-hour rate or 50% downpayment, whichever is higher, must be made upon
submission of sample. Additional 25% administrative charges will be applied to the total fees. Please
pay at the UP Cashier.
e. The basic rate includes sample preparation.
f. Processing includes e-mail of FID file.
g. All experiments that will require more than 30-minute run time will be run during the night queue with a
50% discounted rate on a 2-hr block schedule.
h. Day queue is from 8 AM to 5 PM and night queue is from 5 PM to 8 AM.
____________________________________________
Name and Signature of Project Leader/Researcher/Thesis Adviser
NMR User Fees
Half-hour rate
UP certified
UP System
Other academic
institutions
Government
Industry/Private
Consumables:
Solvent
NMR tubes
Processing
PhP 400
PhP 550
PhP750
PhP 1,000
PhP 1,500
5 mm NMR tube (500 MHz, 7' long) = PhP 1,675/ NMR tube
3 mm NMR tube (500 MHz, 7' long) = PhP 1,584/NMR tube (for use in
inverse detection probe)
5 mm NMR tube (400 MHz, 8' long) = PhP 1,488/tube
CDCl3 = PhP 68.5/ml
CD3OD = PhP 1,265/ ampoule
D2O = PhP 1,886/ ampoule
CD3CN = PhP 8,604/ ampoule
DMSO-d6 = PhP 2,873/ ampoule
Pyridine-d6
Acetone-d6
PhP 200 for e-mail and print-out of full and expanded spectrum with
integration and chemical shifts of peaks indicated.
NMR Facility Core Group
Administration: Dr. Armando Somintac (NIP) and Dr. Neil
Andrew Bascos (NIMBB)
Promotion and advertisements: Dr. Evangeline C. Amor
(IC) and Dr. Christine C. Hernandez (IC)
Training and licensing: Dr. Florecita de Guzman (IC), Dr.
Portia Mahal G. Sabido (IC), Dr. Aaron Villaraza (IC), Dr.
Nemesio E. Montano (MSI)
Maintenance: Mr. Miguel Azcuna (MSI) and Ms. Arlene
Bartolome (IC)
Housekeeping: Dr. Irene M. Villaseñor (IC)
Finance: Dr. Irene M. Villaseñor (IC)
Business: Dr. Gisela P. Concepcion (MSI)