►
Description
Open project meeting for Open Source Antibiotics Series 1, the Mur Ligases.
Full Project: https://github.com/opensourceantibiot...
Relevant GitHub Issue: https://github.com/opensourceantibiotics/murligase/issues/95
On the call: Dr Edwin Tse, Yuhang Wang, Yiwei Wang (UCL), Prof Chris Dowson (chair), Dr Adrian Lloyd and Dr Laura Diaz Saez (University of Warwick), Dr Joe Eyermann, Dr Lori Ferrins (Northeastern University), Bart Staker (SSGCID), Jan Abendroth (UCB Pharma).
A
B
Were
just
gonna
give
an
update
on
the
compounds
of
enamine
because
I've
been
having
issues
trying
to
order
from
them.
B
I
haven't
gotten
a
quote
properly
for
a
while
and
now
I
finally
got
it
and
I
got
issues
with
the
University
because
they
will
be
not
deliver
here,
but
there
so
now,
I
have
put
another
repetition
to
get
sent
the
compounds
here
and
then
I
can
send
it
to
the
sscc
ID
yeah,
so
I
think
that's
going
to
be
the
easiest
way
at
the
moment,
but
I
haven't
been
able
to
follow
up
in
the
past
weeks
because
it's
been
a
bit
crazy
here
so
yeah,
but
I
will
follow
up
and
see
what
happened
with
that
because
it
should
have
gone
through
already
and
I
will
make
sure
that
has
happened.
B
So
that's
on
the
enemy
compounds.
Yeah
so
sat
we're
waiting
for
the
ado6
company,
so
they
could
do
their
caucus.
Civilizations.
B
This
is
06
and
we
said
okay.
B
Yeah
in
terms
of
crystallography
at
Warwick
at
least
I'm,
not
going
great
we're
having
issues
with
the
mosquito
the
center
that
we
have
here.
We
are
having
issues
with
that,
so
I'm
trying
to
fix
that
I
just
set
up
some
Crystal
plays
last
week
and
I'm
trying
to
see
if
I
can
at
least
get
near
the
crystals,
the
new
Acres
as
I,
just
not
going
through
because
they
get
dried
really
fast
so
and
the
system
is
not
working
properly.
B
So
it's
not
going
anywhere
at
the
moment,
so
I
might
have
to
go
to
Diamond
and
do
the
crystals
for
mute
e
at
Diamond.
Well,
at
the
hardware
complex
near
diamond,
but
at
least
you
know,
I
can
do
that
at
some
point.
B
A
B
A
Yeah,
so
on
that
one
actually
I
was
going
to
ask
Johan
I
mean
I,
don't
know
how
much
was
made
of
that
car,
so
you
hung
so
that
compound
is
interesting
in
the
context
of
you
know,
on
the
puresole:
it's
not
in
you,
don't
have
n
methyl
and
the
perisol
so
I'm
thinking
that
there
might
be
a
different
binding
mode
for
that
compound
and
so
I'm
thinking
that
that's
actually
a
compound
that
might
be
worthwhile
sending
actually
also
to
ssgcid
to
get
the
pseudomonas
nurse
structure.
A
D
Nine
three
correct
93
that
that
one
that
one
we
had
the
crystallography
for
that
Peter
Peter
did
that
we
see
Ramona's
original
Mercy.
The
the
PVP
code
was
eight.
The
old
f.
D
No
no
yeah
yeah
so
so
I
have
I
have
if
you
guys
go
to
the
to
dice
right.
Let
me
share
the
screen.
First,.
D
If
we
go
to
here,
I
I've
I
have
made
a
list
with
the
AC
compound,
with
the
their
pdbs
and
biological
data
and
I.
Think
the
company
you're
referring
to
is
this
one
right
like
I'm,
pretty
sure
this
structure
is
the
one
I
made
with
the
code
wh.
E
D
Three,
so
yeah
I
made
loads
of
it.
Okay
I
still
have
something
stock:
okay,
yeah,
so
the
PW
is
8
dof.
D
A
Structure
all
right,
yeah,
I've
I've
done
that
as
well
I,
just
brain
freeze
here
or
whatever
that
I
didn't.
It
didn't
double
check
on
that.
So
yeah
thanks
thanks
a
lot
for
getting
me
straight
on
that.
B
So
yeah
that's
done
good.
We
could
also
try
others
as
well.
I
do
think.
I
have
more
for
those
seriouses
here
enough
to
make
crystals
spr
we
got
on
the
the
list
of
things
to
discuss.
There
was
some
a
comment:
I
made
last
time
that
I
was
waiting
for
spr
sensors,
it
hasn't
changed
and
the
news
from
saitiva
are
not
good.
So
it
looks
like
the
production
is
not
going
well
on
the
SBR
sensor,
so
I'm
looking
into
other
providers.
B
Basically
so
I
can
auditions
it
from
somewhere
else
yeah
and
the
does
it
from
the
ocean
side.
Sorry
from
the
Warwick
side,
I,
don't
know
if
you
want
to
do
more,
go
more
into
the
chemistry
I.
Think
Edwin
was
submitting
some
synthesis
in
GitHub
right.
C
Okay,
so
this
is
jr6
which
Daniel
was
working
on
before
he
finished
up.
He
was
trying
to
do
a
radical
coupling
to
get
this
heterocycle
with
the
fennel
ring,
but
he
was
having
issues
so
I'm,
trying
this
other
method
and
I'm
currently
up
to
this
hydrozide
intermediate
that
I'm
also
having
trouble
cyclizing
so.
E
C
What
I'm
currently
working
on
and
then
these
compounds
here
are
derivatives
of
a
to
B9
who
our
other
postdoc
Eve
has
been
working
on
so
she's
remade,
the
main
compound
and
then
she'll
do
a
few
of
these
other
derivatives
shortly
and.
C
G
C
D
So,
according
to
master
requests,
I
I've
complied
all
these
data
with
the
all
these
Asia
compound
with
their
pdbs
and
biological
data.
Currently
we
had
from
the
paper
so
Just
for
future
references
and
as
for
my
personal
design
previously
as
we,
if
you
guys,
can
see
it
clearly,
let
me
zoom
in
so.
According
to
Laura's
biological
data,
the
spr
data,
the
KD,
wasn't
quite
showing
sorry.
D
This
compound
was
sent
as
the
control
compound
control
compound,
and
this
aiming
was
showing
Goods
improvements
in
KD
stand
for
it's
10
times
better,
but
in
terms
of
the
mic's
we
have
currently
sorry
I
forgot
to
put
it
what
I
mean,
but
the
mic's
wasn't
showing
quite
good.
Then
I
did
the
prediction
on
entryway
and
it
it
showed
that
the
flexibility
issue
was
potentially
the
problem
was
potentially
the
cause
of
the
problem.
There
are
seven
rotatable
bonds
that
didn't
quite
match
their
criteria.
D
Therefore
I
was
thinking.
Okay,
maybe
we
can
add
some
rigidity
here
and
luckily
we
do
have
this.
This
compound
been
tested
in
the
original
for
me
paper
and
therefore
I
I
was
thinking.
Maybe
just
transform
this
compound
into
the
S
corresponding
aiming
Amino
derivative
might
help
and
I
did
the
predictions.
Both
of
these
structures
are
based
on
entryway
or
showing
quite
Goods
what
we're
matching
up
with
their
criteria.
So
not
sure
whether
you
guys
have
any
insights.
D
B
A
I
guess
in
general,
I
have
some
reservations
about
going.
You
know
putting
all
the
effort
into
that
I
guess
I
think
it
would
be
good
if
we
could
get
you
know.
I
know,
I
know
we're
still
waiting
from
Warwick
or
some
of
the
profiling
of
of
these
compounds.
This
kind
of
series
and
the
other
your
leg,
Aces
I,
mean
if
we're
thinking
about
multi-pargeting
I
mean
one
of
the
issues
here
is
multi-carging
right,
I
mean
overall
I
mean
it.
A
Obviously,
if
you
had
a
pseudomonas
only
compounds
that
had
wild
type
NYC,
that
would
obviously
be
a
great
interest,
but
obviously
you're
we're
kind
of
pretty
far
away
from
you
know
something
that
would
be
Clinic.
That
would
be
clinically
relevant
right.
I
mean
the
jump
from
kind
of
where
we
are
now
yeah.
Something
that
would
be
clinically
relevant
is
is
a
wide
Canyon
so
and
I
guess
the
that's
just
that's
just
my
thought.
I
mean
I.
A
Think
the
question
is,
you
know
in
my
mind
a
little
bit
of
you
know:
can
we
get
some
information
about
the
broader
you
know
from
the
from
the
biology,
because
he's
never
been
really
tested
fully
I
mean
AC.
Only
looked
at
pseudomonas
mirror
c
yeah.
So
we
don't
really
have
that
data
yet
in
hand
to
say
how?
A
E
A
Of
get
get
that
nailed
down,
you
know
this
is
like
you
said:
I
mean
this
is
a
lot
of
heavy
lifting
from
the
chemistry
side
and
so
I
think
I
guess
I
would
be
I
guess
my
recommendation
to
speak.
I
guess
be
more
clear
for
her.
For
my
side,
I
wouldn't
I
wouldn't
invest
in
that
time,
yet
so
I
think
you're
fairly
far
away
and
I
think
the
question
becomes
more.
A
You
know
one
of
the
things
now
reminding
me
that
you
know
you
have
the
ninth,
the
nine
so
that
the
actual
you
know
binding
mode
is,
is
the
same.
So
the
key
with
the
asparagine
is
the
is
actually
the
amino.
The
amino
Pearsall
portion
yeah
we're
carrying
around
a
lot
of
like
you,
know
the
adenine
or
this
the
perizola
pyrimidine,
the
quote
to
scaffold
yeah
because
you're
carrying
a
lot
of
weight
there,
yeah
and
and
complexity.
A
So
so,
even
you
know,
do
you
go
back
to
something
like
just
the
diamino
pyrimidine,
so
you
drop
off
I
mean
how
much
are
you
gaining
from
the
fuse
665
system
right,
yeah
anyway,
I
just
just
some
thoughts.
I
mean
again,
you
know.
There's
two
ways
to
look
at
this:
there's
the
you
know,
sorry
kind
of
academic.
You
know
trying
to
put
together
a
PhD
or
a
master's
program
and
and
exploring
and
learning
that
there's
there's
Great
Value
in
that,
but
from
a
drug,
Discovery,
ultimate
goal
of
multi-targeting
I.
A
D
Okay,
so
right
because
because
I
saw
I
did
some
investigation
on
the
on
the
actual
binding
mode,
then
this
basically
this
part
was
locked.
So
there's
no
way,
there's
no
room
for
us
to
change
to
actually
to
really
to
do
do
any
changes
to
this
structure.
A
Again,
I
think
this
might
be
an
area
where
to
think
about.
You
know
this
idea
of
the
the
CC
for
carb,
Library,
yeah
and
maybe
I
still
feel
like
it's.
We
don't
need.
We
have
enough
data
from
the
structural
Viewpoint
to
me.
There's
a
computational
canvas
from
the
structure
Viewpoint
we
could.
We
can
make
a
strong
proposal
for
a
library,
yeah.
A
So
I
don't
know,
that's
just
between
you
and
Matt
to
work
out.
Are
you
willing
to
go
that
route,
or
are
you
going
to
want
to
wait?
You
know
you
can
hear
from
Laura
that,
right
now
the
essays
are
still
in
progress.
There's
not
you
know
so
they're
working
through
some
issues
so
anyway,
sorry
I'll
just
stop
there,
but
I
mean
I'm
again,
I'll
just
offer
again.
A
If
you
want
any
help,
if
you
want
to
move
forward
with
the
library
I'm
a
proposal
I'm
happy
to
help
with
that,
but
I
I
think
going
after
I
mean
you
have
a
rationale
for
what
you
know
to
make
this
Amino
make
it
more
rigid.
That's
you
know,
there's
you
can
write
up
a
nice
rationale
and
he
turns
writing
a
paper.
You
make
the
compounds,
that's
just
a
lot
of,
and
there's
no,
that
that's
okay
to
do
that.
I'm,
just
skeptical
that
it's
going
to
get
you
into
you
know
it's
definitely
better
space.
D
Yeah
yeah,
but
thanks
for
the
Insight,
it's
really
really
helpful
thanks
and
as
for
the
rest
of
the
with
the
Young's
predictions,
so
I'm
still
working
on
that
these
are
these
black
ones
are
the
plans
this
has
been
already
made
and
stored
in
the
bulk
form,
so
I'll
send
both
entries
once
made
was
made
all
these
or
samples
entries
platform
and
the
protected
form.
So
that's
basically
my
plan.
E
D
F
B
Don't
know
if
anyone
else
has
any
of
the
updates,
as
I
said
for
the
essays,
they
are
stocking
up
on
the
synthesis
teams
and
repurifying
things
for
removing
the
phosphate,
but
they
are
working
quite
successfully
towards
that
so
yeah
we're
expecting.
We
can
go
back
to
normal
soon.
E
B
Make
it
yeah
I
hope
if
I
cannot
get
there
and
I
mean
I
will
talk
to
Lori
and
she
might
be
able
to
send
in
spread
Lizzy.
What
the
tech
team
says
today.
G
An
additional
35
minutes
back
in
the
day
is
always
a
good
thing
yeah,
but
let
me
know
Laura
if,
if
you
run
into
issues
with
enamine
I'm
happy
to
try
and
connect
with
them
from.