Latest developments in molecular docking: 2010–2011 in review

E Yuriev, PA Ramsland - Journal of Molecular Recognition, 2013 - Wiley Online Library
The aim of docking is to accurately predict the structure of a ligand within the constraints of a
receptor binding site and to correctly estimate the strength of binding. We discuss, in detail …

[HTML][HTML] A review on the development of urease inhibitors as antimicrobial agents against pathogenic bacteria

YF Rego, MP Queiroz, TO Brito, PG Carvalho… - Journal of advanced …, 2018 - Elsevier
Ureases are enzymes that hydrolyze urea into ammonium and carbon dioxide. They have
received considerable attention due to their impacts on living organism health, since the …

[HTML][HTML] Synthesis, biological evaluation and molecular docking study of pyrimidine based thiazolidinone derivatives as potential anti-urease and anti-cancer agents

S Khan, H Ullah, F Rahim, R Hussain, Y Khan… - Journal of Saudi …, 2023 - Elsevier
Hybrid analogs containing molecules are always the choice of different synthetic researcher
due to their diverse biological applications and significantly more efficient. Heterocyclic …

[HTML][HTML] Identification of novel oxadiazole-based benzothiazole derivatives as potent inhibitors of α-glucosidase and urease: synthesis, in vitro bio-evaluation and their …

Y Khan, A Maalik, W Rehman, R Hussain… - Journal of Saudi …, 2023 - Elsevier
This research work represents a synthetic approach for the development of hybrids
derivatives of oxadiazole-based benzothiazole (1–17) and diversity in derivatives was …

Antiureolytic activity of new water-soluble thiadiazole derivatives: Spectroscopic, DFT, and molecular docking studies

ZHJ Al-Qaisi, ZS Al-Garawi, AJM Al-Karawi… - … Acta Part A: Molecular …, 2022 - Elsevier
Two new water-soluble thiadiazole compounds are prepared and characterized with various
techniques. These compounds, 5-amino-1, 3, 4-thiadiazole hydrochloride (1) and 5-amino-3 …

New triazinoindole bearing benzimidazole/benzoxazole hybrids analogs as potent inhibitors of urease: synthesis, in vitro analysis and molecular docking studies

S Mumtaz, S Iqbal, M Shah, R Hussain, F Rahim… - Molecules, 2022 - mdpi.com
Twenty-four analogs based on triazinoindole bearing benzimidazole/benzoxazole moieties
(1–25) were synthesized. Utilizing a variety of spectroscopic methods, including 1H-, 13C …

Exploring biological efficacy of coumarin clubbed thiazolo [3, 2–b][1, 2, 4] triazoles as efficient inhibitors of urease: A biochemical and in silico approach

I Khan, A Khan, SA Halim, A Saeed, S Mehsud… - International journal of …, 2020 - Elsevier
Combating several pathological conditions associated with ureolytic enzyme (urease)
remains a formidable challenge because of the lack of effective and safe drug therapies. In …

Structurally diversified heterocycles and related privileged scaffolds as potential urease inhibitors: a brief overview

A Ibrar, I Khan, N Abbas - Archiv der Pharmazie, 2013 - Wiley Online Library
Ureases have emerged as significant virulence factors implicated in the pathogenesis of
many clinical conditions such as pyelonephritis, hepatic coma, peptic ulceration, and the …

Discovery of urease inhibitory effect of sulfamate derivatives: Biological and computational studies

S Zaib, MT Younas, SO Zaraei, I Khan, HS Anbar… - Bioorganic …, 2022 - Elsevier
The discovery of life-changing medicines continues to be the driving force for the rapid
exploration and expansion of chemical space, enabling access to innovative small …

[PDF][PDF] A concise review of the natural existance, synthesis, properties, and applications of syringaldehyde

M Ibrahim, R Balakrishnan, S Shamsudeen… - …, 2012 - bioresources.cnr.ncsu.edu
Syringaldehyde is a promising aromatic aldehyde that no longer deserves to remain in
obscurity. It possesses worthy bioactive properties and is, therefore, used in …