Journal: Pharmacological Reviews

Article Title: Current Challenges and Opportunities in Treating Glioblastoma

doi: 10.1124/pr.117.014944

Figure Lengend Snippet: CNS MPO Version 2 scores were calculated for 73 of the GBM drug candidates listed in . Plots are shown for scores calculated for total CNS MPO score (A), molecular weight distribution (B), LogP value distribution (C), polar surface area value distribution (D), hydrogen bond donor total distribution (E), and p K a value (of the most basic center) distribution (F).

Article Snippet: To ameliorate this problem, a CNS multiparameter optimization (CNS MPO) algorithm was designed by Pfizer scientists with the goal of streamlining the CNS drug discovery process ( ).

Techniques: Molecular Weight

Journal: Molecules

Article Title: Synthesis, Biological Evaluation, and Docking Studies of Antagonistic Hydroxylated Arecaidine Esters Targeting mAChRs

doi: 10.3390/molecules27103173

Figure Lengend Snippet: HPLC-logD and CNS MPO score of the synthesized hydroxylated arecaidine esters.

Article Snippet: To address this multifariousness, which is equally important in the context of classical drug design, a group of medicinal chemists around Travis Wager from Pfizer developed the CNS MPO (multiparameter optimization) score [ ].

Techniques: Synthesized

Journal: Pharmaceuticals

Article Title: Evaluation of Emulsification Techniques to Optimize the Properties of Chalcone Nanoemulsions for Antifungal Applications

doi: 10.3390/ph17111442

Figure Lengend Snippet: ( A ) multiparameter optimization (MPO) radar for estimating the pharmacokinetic and pharmacodynamic viability of DB4OCH 3 , ( B ) alignment between lipophilicity at physiological pH (logD7.4) and molecular weight (MW) for estimating the Papp, A → B and CLMicro profile and predicting ( C ) the percentage of human intestinal absorption (HIA) and ( D ) the coefficient of permeability at the blood–brain barrier (logBB).

Article Snippet: Quantitative druglikeness estimation was performed using the Multiparameter Optimization (MPO) algorithm from Pfizer, Inc., [ ] as shown in Equation (5): (5) M P O = ∑ i = 1 N w k T k x 0 k where w represents the weighting factor (ranging from 0 to 1) assigned to each physicochemical property ( k ) in the linear and bilateral functions ( T ( x )) formed by the thresholds of intrinsic lipophilicity (logP) ≤ 3, buffer lipophilicity (logD at pH 7.4) ≤ 2, molecular weight (MW) ≤ 360 g/mol, Topological Polar Surface Area (TPSA) of 40–90 Å 2 , H-bond donors (HBD) ≤ 1 and basic pKa ≤ 8.0 (N = 6).

Techniques: Molecular Weight, Permeability

Journal: Communications Biology

Article Title: Ebselen as template for stabilization of A4V mutant dimer for motor neuron disease therapy

doi: 10.1038/s42003-020-0826-3

Figure Lengend Snippet: The values are colour coded according to Wager , . Green; the values fall in more desirable range, red: the values fall in less desirable range, yellow: the values fall in-between the ranges. ClogP: calculated logarithm of partition coefficient of a compound between n-octanol and water, ClogD: calculated logarithm of distribution coefficient of a compound between n-octanol and water at pH 7.4, MW: molecular weight, tPSA: topological polar surface area, CNS MPO: central nervous system multiparameter optimisation.

Article Snippet: Figure contains key data for the series (ClogP, ClogD, MW, TPSA) along with data generated by the Pfizer central nervous system multiparameter optimisation (CNS MPO) algorithm with CNS MPO desirability scores .

Techniques: Molecular Weight