| Characteristics of flavonoids as potent MERS-CoV 3C-like protease inhibitors |
47 |
| Homology modeling in drug discovery: Overview, current applications, and future perspectives |
27 |
| Synthesis, molecular modeling, and biological evaluation of 4-[5-aryl-3-(thiophen-2-yl)-5-dihydro-1H-pyrazol-1-yl] benzenesulfonamides toward acetylcholinesterase, carbonic anhydrase I and II enzymes |
19 |
| Naphthoquinones: A continuing source for discovery of therapeutic antineoplastic agents |
18 |
| Computational methods and tools to predict cytochrome P450 metabolism for drug discovery |
18 |
| Natural compounds with xanthine oxidase inhibitory activity: A review |
15 |
| Structural properties of bioactive peptides with -glucosidase inhibitory activity |
15 |
| Tumor targeting with Tc-99m radiolabeled peptides: Clinical application and recent development |
13 |
| Metformin enhances doxorubicin sensitivity via inhibition of doxorubicin efflux in P-gp-overexpressing MCF-7 cells |
13 |
| An overview on Vadimezan (DMXAA): The vascular disrupting agent |
12 |
| Plasmodium falciparum: Multidrug resistance |
10 |
| MolTarPred: A web tool for comprehensive target prediction with reliability estimation |
10 |
| A comparison of mesoporous silica nanoparticles and mesoporous organosilica nanoparticles as drug vehicles for cancer therapy |
10 |
| Selective inhibition of TRPM2 channel by two novel synthesized ADPR analogues |
9 |
| Bitter substances from plants used in traditional Chinese medicine exert biased activation of human bitter taste receptors |
9 |
| Aromatic interactions at the ligand-protein interface: Implications for the development of docking scoring functions |
8 |
| Design and antimicrobial activities of LL-37 derivatives inhibiting the formation of Streptococcus mutans biofilm |
8 |
| Multi-target, ensemble-based virtual screening yields novel allosteric KRAS inhibitors at high success rate |
7 |
| In vitro interaction of glutathione S-transferase-pi enzyme with glutathione-coated silver sulfide quantum dots: A novel method for biodetection of glutathione S-transferase enzyme |
7 |
| Insight into selective mechanism of class of I-BRD9 inhibitors toward BRD9 based on molecular dynamics simulations |
7 |
| New thiophene-acridine compounds: Synthesis, antileishmanial activity, DNA binding, chemometric, and molecular docking studies |
7 |
| Synthesis and biological evaluation of new tetramethylpyrazine-based chalcone derivatives as potential anti-Alzheimer agents |
7 |
| Spotlight on 17-AAG as an Hsp90 inhibitor for molecular targeted cancer treatment |
7 |
| Intrinsically disordered protein-specific force field CHARMM36IDPSFF |
7 |
| Photodynamic therapy and nuclear imaging activities of zinc phthalocyanine-integrated TiO2 nanoparticles in breast and cervical tumors |
7 |
| Sofosbuvir as treatment against dengue? |
7 |
| Discovery of naphthyl-N-acylhydrazone p38 MAPK inhibitors with in vivo anti-inflammatory and anti-TNF- activity |
6 |
| Synthesis, enzyme inhibitory kinetics, and computational studies of novel 1-(2-(4-isobutylphenyl) propanoyl)-3-arylthioureas as Jack bean urease inhibitors |
6 |
| Peptide and protein mimetics by retro and retroinverso analogs |
6 |
| Histamine H-3 receptor ligands by hybrid virtual screening, docking, molecular dynamics simulations, and investigation of their biological effects |
6 |
| Trypanosoma cruzi biochemical changes and cell death induced by an organometallic platinum-based compound |
6 |
| Comparative evaluation of Ga-68-labeled NODAGA, DOTAGA, and HBED-CC-conjugated cNGR peptide chelates as tumor-targeted molecular imaging probes |
6 |
| A theoretical insight into selectivity of inhibitors toward two domains of bromodomain-containing protein 4 using molecular dynamics simulations |
6 |
| Design, synthesis and evaluation of a novel series of inhibitors reversing P-glycoprotein-mediated multidrug resistance |
6 |
| Novel 3-oxazine-tetrazole hybrids as mushroom tyrosinase inhibitors and free radical scavengers: Synthesis, kinetic mechanism, and molecular docking studies |
6 |
| Approaches for the discovery of metallo-beta-lactamase inhibitors: A review |
6 |
| Synthesis, activity, and docking studies of eugenol-based glucosides as new agents against Candida sp. |
6 |
| Role of positively charged residues on the polar and non-polar faces of amphipathic alpha-helical antimicrobial peptides on specificity and selectivity for Gram-negative pathogens |
6 |
| Influence of EGCG on alpha-synuclein (alpha S) aggregation and identification of their possible binding mode: A computational study using molecular dynamics simulation |
6 |
| The delivery of doxorubicin of multifunctional -cyclodextrin-modified CdSe/ZnS quantum dots for bioactivity and nano-probing |
6 |
| Discovery of novel pyrrolopyrimidine/pyrazolopyrimidine derivatives bearing 3-triazole moiety as c-Met kinase inhibitors |
6 |
| Design and optimize N-substituted EF24 as effective and low toxicity NF-kappa B inhibitor for lung cancer therapy via apoptosis-to-pyroptosis switch |
5 |
| Discovery of potent HIV-1 non-nucleoside reverse transcriptase inhibitors by exploring the structure-activity relationship of solvent-exposed regions I |
5 |
| Discovery of two bombinin peptides with antimicrobial and anticancer activities from the skin secretion of Oriental fire-bellied toad, Bombina orientalis |
5 |
| The applications of PCA in QSAR studies: A case study on CCR5 antagonists |
5 |
| New hydrazide-hydrazones of isonicotinic acid: synthesis, lipophilicity and in vitro antimicrobial screening |
5 |
| Biological activities of 5-trihydroxypiperidines and their N- and O-derivatives |
5 |
| Cucurbitacin-B attenuates CCl4-induced hepatic fibrosis in mice through inhibition of STAT-3 |
5 |
| Prediction and validation of potent peptides against herpes simplex virus type 1 via immunoinformatic and systems biology approach |
5 |
| Screening of curcumin-derived isoxazole, pyrazoles, and pyrimidines for their anti-inflammatory, antinociceptive, and cyclooxygenase-2 inhibition |
5 |
