Knowledge Library

Structure-based optimization of hydroxylactam as potent, cell-active inhibitors of lactate dehydrogenase

Structure-based design was utilized to optimize 6,6-diaryl substituted dihydropyrone and hydroxylactam to obtain inhibitors of lactate dehydrogenase (LDH) with low nanomolar biochemical and single-digit micromolar cellular potencies. Surprisingly the replacement of a phenyl with a pyridyl moiety in the chemical structure revealed a new binding mode for the inhibitors with subtle conformational change of the …Read More >

Resource Type: Publication
Resource Topic: Discovery Chemistry

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Empowering Organic Syntheses with Quantum Mechanics Analyses

Syntheses of specifically functionalized molecules continue to be rate limiting steps (RLS) in drug discovery. Improvement in this RLS means investing only in reactions/synthetic sequences that are more likely to succeed. Structural diversifications, different substitution patterns or unique heterocyclic systems can often adversely impact the crucial step(s) of established synthetic sequences or development of feasible …Read More >

Resource Type: Latest Science
Resource Topic: Discovery Chemistry

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Quantum Mechanics for Organic Chemists: An Experimentalist Approach

Magical Power of Quantum Mechanics Chapter 1: Application of LUMO in Nucleophilic Reactions Chapter 2: Application of HOMO in Electrophilic Reactions Chapter 3: Application of Electrostatic Potential Map in Acidity Estimation Chapter 4: Application of Conformational Analyses & HOMO Map for Stereo-selectivity Prediction Chapter 5: Sequential Cross Coupling Reactions of Polyhalogenated Heterocycles Chapter 6: Stepwise Multiple …Read More >

Resource Type: Ebook
Resource Topic: Quantum Mechanics

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Discovery Chemistry Outsourcing Services

Global Leader in Discovery Chemistry Outsourcing Services Based on FTE (Full Time Equivalent) Model | Customization to Client’s Synthetic Chemistry with high productivity, quality, speed, and reliability Project Management:  we manage project timelines and compound flow Medicinal Chemistry: we provide compound design and project management Integrated Projects from targets to hits to leads to preclinical …Read More >

Resource Type: Brochure
Resource Topic: Discovery Chemistry

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