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