Ligand docking and structure-based virtual screening in drug discovery

CN Cavasotto, AJ W Orry - Current topics in medicinal chemistry, 2007 - ingentaconnect.com
Ligand-docking-based methods are starting to play a critical role in lead discovery and
optimization, thus resulting in new 'drug-candidates'. They offer the possibility to go beyond …

Rational approaches, design strategies, structure activity relationship and mechanistic insights for therapeutic coumarin hybrids

H Singh, JV Singh, K Bhagat, HK Gulati… - Bioorganic & medicinal …, 2019 - Elsevier
Hybrid molecules, furnished by combining two or more pharmacophores is an emerging
concept in the field of medicinal chemistry and drug discovery that has attracted substantial …

The antithrombotic activity of natural and synthetic coumarins

L Gao, F Wang, Y Chen, F Li, B Han, D Liu - Fitoterapia, 2021 - Elsevier
Thrombosis, which seriously endangers human health and life, is the leading cause of
morbidity and mortality globally. Antithrombotic drugs can interfere with the occurrence and …

Synthetic coumarin derivatives with anticoagulation and antiplatelet aggregation inhibitory effects

TM Ramsis, MA Ebrahim, EA Fayed - Medicinal Chemistry Research, 2023 - Springer
Thrombosis is the leading cause of illness and mortality worldwide, posing a serious risk to
human health and life. Because antithrombotic drugs can prevent the beginning and …

Factor XII/XIIa inhibitors: Their discovery, development, and potential indications

C Davoine, C Bouckaert, M Fillet, L Pochet - European Journal of Medicinal …, 2020 - Elsevier
Coagulation factor XII (FXII), a S1A serine protease, was discovered more than fifty years
ago. However, its in vivo functions and its three-dimensional structure started to be disclosed …

Synthesis of guanidinylated chitosan with the aid of multiple protecting groups and investigation of antibacterial activity

P Sahariah, BM Óskarsson, MÁ Hjálmarsdóttir… - Carbohydrate …, 2015 - Elsevier
A new synthetic approach employing two types of protecting groups,
tertiarybutyldimethylsilyl (TBDMS) and tertiarybutyloxycarbonyl (Boc) was developed to …

Coumarin as a structural component of substrates and probes for serine and cysteine proteases

J Breidenbach, U Bartz, M Gütschow - Biochimica et Biophysica Acta (BBA) …, 2020 - Elsevier
Coumarins represent well-established structures to introduce fluorescence into tool
compounds for biochemical investigations. They are valued for their small size, chemical …

Synthesis, evaluation and structure-activity relationship of new 3-carboxamide coumarins as FXIIa inhibitors

C Bouckaert, S Serra, G Rondelet, E Dolušić… - European Journal of …, 2016 - Elsevier
Inhibitors of the coagulation factor XIIa (FXIIa) are attractive to detail the roles of this
protease in hemostasis and thrombosis, to suppress artifact due to contact pathway …

Synthesis of some new 4-aryloxmethylcoumarins and examination of their antibacterial and antifungal activities

M Basanagouda, MV Kulkarni, D Sharma… - Journal of chemical …, 2009 - Springer
A number of new 4-aryloxymethylcoumarins 3 and 5 have been obtained from the reaction
of various 4-bromomethylcoumarins with 2-nitro-p-cresol 2 and 2, 6-dibromo-p-cresol 4 …

Toward the first class of suicide inhibitors of kallikreins involved in skin diseases

X Tan, F Soualmia, L Furio, JF Renard… - Journal of medicinal …, 2015 - ACS Publications
The inhibition of kallikreins 5 and 7, and possibly kallikrein 14 and matriptase,(that initiates
the kallikrein proteolytic cascade) constitutes an innovative way to treat some skin diseases …