Use of molecular docking computational tools in drug discovery

F Stanzione, I Giangreco, JC Cole - Progress in medicinal chemistry, 2021 - Elsevier
Molecular docking has become an important component of the drug discovery process.
Since first being developed in the 1980s, advancements in the power of computer hardware …

Synthesis and pharmacological activities of pyrazole derivatives: A review

K Karrouchi, S Radi, Y Ramli, J Taoufik, YN Mabkhot… - Molecules, 2018 - mdpi.com
Pyrazole and its derivatives are considered a pharmacologically important active scaffold
that possesses almost all types of pharmacological activities. The presence of this nucleus in …

Design and synthesis of novel antimicrobial agents

Z Breijyeh, R Karaman - Antibiotics, 2023 - mdpi.com
The necessity for the discovery of innovative antimicrobials to treat life-threatening diseases
has increased as multidrug-resistant bacteria has spread. Due to antibiotics' availability over …

Recent advances of pyrazole-containing derivatives as anti-tubercular agents

Z Xu, C Gao, QC Ren, XF Song, LS Feng… - European journal of …, 2017 - Elsevier
One-third of the world's population infected tuberculosis (TB), and more than 1 million
deaths annually. The co-infection between the mainly pathogen Mycobacterium tuberculosis …

Linkers in fragment-based drug design: an overview of the literature

D Grenier, S Audebert, J Preto… - Expert Opinion on …, 2023 - Taylor & Francis
Introduction In fragment-based drug design, fragment linking is a popular strategy where two
fragments binding to different sub-pockets of a target are linked together. This attractive …

Identification and characterization of antibacterial compound(s) of cockroaches (Periplaneta americana)

SM Ali, R Siddiqui, SK Ong, MR Shah, A Anwar… - Applied microbiology …, 2017 - Springer
Infectious diseases remain a significant threat to human health, contributing to more than 17
million deaths, annually. With the worsening trends of drug resistance, there is a need for …

Intrinsic antibacterial activity of nanoparticles made of β-cyclodextrins potentiates their effect as drug nanocarriers against tuberculosis

A Machelart, G Salzano, X Li, A Demars, AS Debrie… - ACS …, 2019 - ACS Publications
Multi-drug-resistant tuberculosis (TB) is a major public health problem, concerning about
half a million cases each year. Patients hardly adhere to the current strict treatment …

Novel linezolid-based oxazolidinones as potent anticandidiasis and antitubercular agents

S Faazil, MS Malik, SA Ahmed, RI Alsantali, P Yedla… - Bioorganic …, 2022 - Elsevier
The quest for new antifungal and antitubercular drugs is a need of the hour because of
morbid co-pathogenesis and an increase in immunocompromised patients. One of the ways …

Recent trends in fragment-based anticancer drug design strategies against different targets: A mini-review

M Moinul, S Khatun, SA Amin, T Jha, S Gayen - Biochemical Pharmacology, 2022 - Elsevier
Cancer is a rapidly growing disease in modern society. Chemotherapy is the first choice for
cancer treatment. Design and development of new chemotherapeutic drugs by targeting …

Mapping major SARS-CoV-2 drug targets and assessment of druggability using computational fragment screening: Identification of an allosteric small-molecule …

MR Freidel, RS Armen - PLoS One, 2021 - journals.plos.org
The 2019 emergence of, SARS-CoV-2 has tragically taken an immense toll on human life
and far reaching impacts on society. There is a need to identify effective antivirals with …