OOIR: Observatory of International Research

Papers

(The H4-Index of Molecular Diversity is 26. The table below lists those papers that are above that threshold based on CrossRef citation counts [max. 250 papers]. The publications cover those that have been published in the past four years, i.e., from 2021-02-01 to 2025-02-01.)

Article	Citations
A novel approach for assessment of antitrypanosomal activity of sesquiterpene lactones through additive and non-additive molecular structure parameters	675
Recent synthetic strategies for N-arylation of pyrrolidines: a potential template for biologically active molecules	96
Identification of the potential TLR7 antagonists by virtual screening and experimental validation	81
GluN2B subunit selective N-methyl-D-aspartate receptor ligands: Democratizing recent progress to assist the development of novel neurotherapeutics	71
Targeting lipid-sensing nuclear receptors PPAR (α, γ, β/δ): HTVS and molecular docking/dynamics analysis of pharmacological ligands as potential pan-PPAR agonists	69
Recent synthetic approaches towards thienothiophenes: a potential template for biologically active compounds	60
Structural insights and cytotoxicity evaluation of benz[e]indole pyrazolyl-substituted amides	48
New apoptotic anti-triple-negative breast cancer theobromine derivative inhibiting EGFRWT and EGFRT790M: in silico and in vitro evaluation	46
PEG-mediated synthesis, antibacterial, antifungal and antioxidant studies of some new 1,3,5-trisubstituted 2-pyrazolines	45
A one-pot synthesis of piperidinium spirooxindoline-pyridineolates and indole-substituted pyridones in aqueous or ethanol medium	42
Structural analysis of the impact of germline mutations of p16 in melanoma prone families	39
Synthesis and antifungal activity of arecoline derivatives containing amino acid fragments	38
A multiscale molecular structural neural network for molecular property prediction	33
Discovery of selective ROCK2 inhibitors with free radical scavenging ability for the treatment of gouty arthritis	33
Anti-TMV activity based flavonol derivatives containing piperazine sulfonyl: Design, synthesis and mechanism study	32
Integrating network pharmacology with molecular docking and dynamics to uncover therapeutic targets and signaling mechanisms of vitamin D3 in Parkinson’s disease	31
Coumarin derivatives containing the 1,3,4 oxadiazole/thiadiazole moiety discovered as potential anti-tobacco mosaic virus agents	31
Identification of potential PIM-2 inhibitors via ligand-based generative models, molecular docking and molecular dynamics simulations	29
Novel quinolone substituted 1,3,4-oxadiazole derivatives: design, synthesis, antimicrobial and anti-inflammatory potential	29
A deep learning-based theoretical protocol to identify potentially isoform-selective PI3Kα inhibitors	28
Exploring putative drug properties associated with TNF-alpha inhibition and identification of potential targets in cardiovascular disease using machine learning-assisted QSAR modeling and virtual reve	27
Improved QSAR models for PARP-1 inhibition using data balancing, interpretable machine learning, and matched molecular pair analysis	27
Computational prediction of phytochemical inhibitors against the cap-binding domain of Rift Valley fever virus	27
Novel molecular inhibitor design for Plasmodium falciparum Lactate dehydrogenase enzyme using machine learning generated library of diverse compounds	26
Review and perspective on bioinformatics tools using machine learning and deep learning for predicting antiviral peptides	26

In silico screening of Fyn kinase inhibitors using classification-based QSAR model, molecular docking, molecular dynamics and ADME study	26
Application progress of deep generative models in de novo drug design	26