Learning substructure invariance for out-of-distribution molecular representations

N Yang, K Zeng, Q Wu, X Jia… - Advances in Neural …, 2022 - proceedings.neurips.cc
Molecule representation learning (MRL) has been extensively studied and current methods
have shown promising power for various tasks, eg, molecular property prediction and target …

[HTML][HTML] Progress in HIV-1 integrase inhibitors: A review of their chemical structure diversity

Z Hajimahdi, A Zarghi - Iranian journal of pharmaceutical research …, 2016 - ncbi.nlm.nih.gov
Abstract HIV-1 integrase (IN) enzyme, one of the three main enzymes of HIV-1, catalyzed the
insertion of the viral DNA into the genome of host cells. Because of the lack of its homologue …

HIV-1 IN inhibitors: 2010 update and perspectives

C Marchand, K Maddali, M Métifiot… - Current topics in …, 2009 - ingentaconnect.com
Integrase (IN) is the newest validated target against AIDS and retroviral infections. The
remarkable activity of raltegravir (Isentress®) led to its rapid approval by the FDA in 2007 as …

Synthesis, biological assay in vitro and molecular docking studies of new Schiff base derivatives as potential urease inhibitors

MAS Aslam, S Mahmood, M Shahid, A Saeed… - European Journal of …, 2011 - Elsevier
A series of new and novel Schiff base derivatives were synthesized and investigated as
potential new inhibitors of Jack bean urease. The most potent compounds were 3f with (Ki …

Design, synthesis, in silico docking studies and biological evaluation of novel quinoxaline-hydrazide hydrazone-1, 2, 3-triazole hybrids as α-glucosidase inhibitors and …

T Settypalli, VR Chunduri, AK Maddineni… - New Journal of …, 2019 - pubs.rsc.org
A new series of quinoxaline-hydrazidehydrazone-1, 2, 3-triazole hybrids, 14a–j, 15a–j and
16a–e, was designed, synthesized and screened for in vitro α-glucosidase and antioxidant …

Benzylidene/2-chlorobenzylidene hydrazides: Synthesis, antimicrobial activity, QSAR studies and antiviral evaluation

D Kumar, V Judge, R Narang, S Sangwan… - European Journal of …, 2010 - Elsevier
A series of benzylidene hydrazides (1–20) was synthesized and tested, in vitro, for
antibacterial, antifungal and antiviral activities. The microbial screening results indicated that …

4-Substituted 2-Hydroxyisoquinoline-1,3(2H,4H)-diones as a Novel Class of HIV-1 Integrase Inhibitors

M Billamboz, V Suchaud, F Bailly, C Lion… - ACS Medicinal …, 2013 - ACS Publications
A series of 2-hydroxy-1, 3-dioxoisoquinoline-4-carboxamides featuring an N-hydroxyimide
chelating functionality was evaluated for their inhibitory properties against human …

Synthesis and antiviral activity of β-carboline derivatives bearing a substituted carbohydrazide at C-3 against poliovirus and herpes simplex virus (HSV-1)

ASN Formagio, PR Santos, K Zanoli… - European journal of …, 2009 - Elsevier
Several novel 1, 3-disubstituted β-carboline derivatives bearing a substituted
carbohydrazide group at C-3 were synthesized and evaluated for their antiviral activity …

Hansch analysis of substituted benzoic acid benzylidene/furan-2-yl-methylene hydrazides as antimicrobial agents

P Kumar, B Narasimhan, D Sharma, V Judge… - European journal of …, 2009 - Elsevier
A series of substituted hydrazide derivatives have been synthesized and screened for their
in vitro antimicrobial activities against five representative microorganisms. The results of …

Biological activities of hydrazide derivatives in the new millennium

B Narasimhan, P Kumar, D Sharma - Acta Pharmaceutica …, 2010 - actapharmsci.com
Hydrazides and hydrazones are present in many of the bioactive heterocyclic compounds
that are of wide interest because of their diverse biological and clinical applications. This …