In Silico Strategies in Tuberculosis Drug Discovery

SJY Macalino, JB Billones, VG Organo, MCO Carrillo - Molecules, 2020 - mdpi.com
Tuberculosis (TB) remains a serious threat to global public health, responsible for an
estimated 1.5 million mortalities in 2018. While there are available therapeutics for this …

A survey on computational methods in discovering protein inhibitors of SARS-CoV-2

Q Liu, J Wan, G Wang - Briefings in Bioinformatics, 2022 - academic.oup.com
The outbreak of acute respiratory disease in 2019, namely Coronavirus Disease-2019
(COVID-19), has become an unprecedented healthcare crisis. To mitigate the pandemic …

Synthesis, antibacterial activities and theoretical study of polyhydroquinoline derivatives

M Ismail, R Ahmad, A Latif, AA Khan, A Alam… - …, 2023 - Wiley Online Library
In the present study, novel bis‐Schiff base derivatives of polyhydroquinoline were
synthesized through Hantzsch condensation reaction in excellent yields. Initially, a mixture …

Design, synthesis, and biological evaluation of novel thiazolidinediones as PPARγ/FFAR1 dual agonists

KM Darwish, I Salama, S Mostafa, MS Gomaa… - European journal of …, 2016 - Elsevier
Diabetes mellitus is a chronic metabolic disorder that affects more than 180 million people
worldwide. Peroxisome proliferator activated receptors (PPARs) are a group of nuclear …

[HTML][HTML] LC-MS Based Analysis and Biological Properties of Pseudocedrela kotschyi (Schweinf.) Harms Extracts: A Valuable Source of Antioxidant, Antifungal, and …

KI Sinan, S Dall'Acqua, I Ferrarese, A Mollica… - Antioxidants, 2021 - mdpi.com
The impact of two extraction solvents on the phenolic composition, antioxidant, and enzymes
inhibitory and antimicrobial activities of two parts (leaves and stem bark) of P. kotschyi was …

Designing cyclic peptide inhibitor of dengue virus NS3-NS2B protease by using molecular docking approach

USF Tambunan, S Alamudi - Bioinformation, 2010 - pmc.ncbi.nlm.nih.gov
Peptides are preferred for designing inhibitors because of their high activity and specificity.
Seven cyclopentapeptide inhibitors were designed in this study against dengue virus type 2 …

Improved pharmaceutical properties of ritonavir through co-crystallization approach with liquid-assisted grinding method

KR Chaudhari, JK Savjani, KT Savjani… - Drug Development and …, 2021 - Taylor & Francis
Ritonavir is a BCS class II antiretroviral agent which shows poor aqueous solubility and low
oral bioavailability. The cocrystallization approach was selected to overcome these …

Mycoloyltransferases: A large and major family of enzymes sha** the cell envelope of Corynebacteriales

N Dautin, C de Sousa-d'Auria… - … et Biophysica Acta (BBA …, 2017 - Elsevier
Mycobacterium and Corynebacterium are important genera of the Corynebacteriales order,
the members of which are characterized by an atypical diderm cell envelope. Indeed the …

New multitarget directed benzimidazole‐2‐thiol‐based heterocycles as prospective anti‐radical and anti‐Alzheimer's agents

A Latif, S Bibi, S Ali, A Ammara… - Drug Development …, 2021 - Wiley Online Library
A series of new heterocycles (4–18) was synthesized by the structural modification of
benzimidazole‐2‐thiol (BT, 2‐MBI). The structures of the synthesized compounds were …

Binding interactions of dopamine and apomorphine in D2High and D2Low states of human dopamine D2 receptor using computational and experimental techniques

S Durdagi, RE Salmas, M Stein… - ACS Chemical …, 2016 - ACS Publications
We have recently reported G-protein coupled receptor (GPCR) model structures for the
active and inactive states of the human dopamine D2 receptor (D2R) using adrenergic …