Structure-Based Drug Design

Structure-based drug design (sbdd) combines the power of many scientific disciplines, such as x-ray crystallography, nuclear magnetic resonance, medicinal chemistry, molecular modeling, biology, enzymology and biochemistry, in a functional paradigm of drug development. Here is the latest research on sbdd.

January 21, 2021

Effect of urea concentration on instant refolding of Nuclear Export Protein (NEP) from Influenza-A virus H1N1: A solution NMR based investigation.

International Journal of Biological Macromolecules
Nancy JaiswalDinesh Kumar
January 20, 2021

An Updated Review on Betacoronavirus Viral Entry Inhibitors: Learning from Past Discoveries to Advance COVID-19 Drug Discovery

Current Topics in Medicinal Chemistry
Dima A SabbahHaizhen A Zhong
January 20, 2021

Rational design of PIN1 inhibitors for cancer treatment based on conformational diversity analysis and docking based virtual screening

Journal of Biomolecular Structure & Dynamics
Julián MaggioDiego L Mengual Gómez
January 18, 2021
Open Access

Unusual zwitterionic catalytic site of SARS-CoV-2 main protease revealed by neutron crystallography.

The Journal of Biological Chemistry
Daniel W KnellerAndrey Kovalevsky
January 21, 2021
Open Access

Rational Design of CYP3A4 Inhibitors: A One-Atom Linker Elongation in Ritonavir-Like Compounds Leads to a Marked Improvement in the Binding Strength.

International Journal of Molecular Sciences
Eric R Samuels, Irina F Sevrioukova
January 15, 2021
Open Access

Human Embryo Models and Drug Discovery

International Journal of Molecular Sciences
Margit RosnerMarkus Hengstschläger
January 16, 2021
Open Access

Cryo-EM resolves molecular recognition of an optojasp photoswitch bound to actin filaments in both switch states

Angewandte Chemie
Sabrina PospichStefan Raunser
January 21, 2021

Study on functional sites in human multidrug resistance protein 1 (hMRP1).

Junmei HeChunhua Li
January 21, 2021
Open Access

Development and therapeutic potential of 2-aminothiazole derivatives in anticancer drug discovery.

Medicinal Chemistry Research : an International Journal for Rapid Communications on Design and Mechanisms of Action of Biologically Active Agents
Seyedeh Roya Alizadeh, Seyedeh Mahdieh Hashemi
January 20, 2021

Proteomic Approaches to Study SARS-CoV-2 Biology and COVID-19 Pathology

Journal of Proteome Research
Paige HaasRuth Hüttenhain
January 15, 2021
Open Access

Potential Novel Food-Related and Biomedical Applications of Nanomaterials Combined with Bacteriocins

Atanu Naskar, Kwang-Sun Kim
January 22, 2021

Structure- and Similarity-Based Survey of Allosteric Kinase Inhibitors, Activators, and Closely Related Compounds.

Journal of Medicinal Chemistry
Oliver LaufkötterJürgen Bajorath
January 21, 2021

Biosynthesis of Diverse Type II Polyketide Core Structures in Streptomyces coelicolor M1152.

ACS Synthetic Biology
Xuechen ZhuMikko Metsä-Ketelä
January 20, 2021
Open Access

Rational Design of a Uranyl Metal-Organic Framework for the Capture and Colorimetric Detection of Organic Dyes

Chemistry : a European Journal
Robert G SurbellaRebecca J Abergel
January 22, 2021
Open Access

Bidirectional regulation of cognitive and anxiety-like behaviors by dentate gyrus mossy cells in male and female mice.

The Journal of Neuroscience : the Official Journal of the Society for Neuroscience
Justin J BotterillHelen E Scharfman

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