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The prediction of the drug-target affinity (DTA) plays an important role in evaluating molecular druggability. Although deep learning-based models for DTA prediction have been extensively attempted, there are rare reports on multimodal models that leverage various fusion strategies to exploit heterogeneous information from multiple different modalities of drugs and targets. In this study, we proposed a multimodal deep model named MMDTA, which integrated the heterogeneous information from various modalities of drugs and targets using a hybrid fusion strategy to enhance DTA prediction. To achieve this, MMDTA first employed convolutional neural networks (CNNs) and graph convolutional networks (GCNs) to extract diverse heterogeneous information from the sequences and structures of drugs and targets. It then utilized a hybrid fusion strategy to combine and complement the extracted heterogeneous information, resulting in the fused modal information for predicting drug-target affinity through the fully connected (FC) layers. Experimental results demonstrated that MMDTA outperformed the competitive state-of-the-art deep learning models on the widely used benchmark data sets, particularly with a significantly improved key evaluation metric, Root Mean Square Error (RMSE). Furthermore, MMDTA exhibited excellent generalization and practical application performance on multiple different data sets. These findings highlighted MMDTA’s accuracy and reliability in predicting the drug-target binding affinity. For researchers interested in the source data and code, they are accessible at http://github.com/dldxzx/MMDTA.

Griseusins F (1) and G (2), two 2a-hydro-8a-(2-oxopropyl)-substituted spiro-naphthoquinones with a previously undescribed C23polyketide skeleton, were isolated from a Yunnan tin mine tailings-derived alkalophilic actinomycete, Nocardiopsissp. YIM DT266. Their complete structure assignments with the absolute stereochemistry were elucidated by spectroscopic data, X-ray crystal diffraction, calculation of optical rotation, and CD spectroscopic analysis. Compounds 1and 2exhibited strong cytotoxicity (IC500.37–0.82 μM) and antibacterial activity (MIC 0.80–1.65 μg/mL) against Gram-positive bacteria, including methicillin-resistant Staphylococcus aureus(MRSA) in vitro.

Bring in the new: Naphthospironone A (1), a novel polycyclic metabolite with an unprecedented spiro[bicyclo[3.2.1]octene‐pyran]dione ring system, was isolated from alkalophilic Nocardiopsissp. (YIM DT266). Its complete structural assignment with the absolute stereochemistry was elucidated by spectroscopic data, X‐ray crystal diffraction, and calculation of optical rotation by using DFT methods. Naphthospironone A exhibited moderate cytotoxic and antibiotic bioactivities.

Abstract: A strain YIM 33098T (= CCTCC AA001027T = DSM 41831T) was isolated from a forest soil sample collected from Nanning in Guangxi Province, China, in the course of screening for producers of new drug lead compounds. This strain was identified by using a polyphasic approach. The results showed that it should be assigned to the genus Streptomyces. An almost complete 16S rRNA gene sequence of the strain was determined and compared with those of representative Streptomyces species. Strain YIM 33098T was clustered in the same subclade with Streptomyces tendae ATCC19812T and Streptomyces eurythermus ATCC14975T. Similarities of strain YIM 33098T with the two strains were 97.35% and 97.42%, respectively. Based on the phenotypic and genotypic evidence, it is therefore proposed that strain YIM 33098T should be classified in the genus Streptomyces as a new species under the name of Streptomyces nanningensis sp. nov.

The construction and performance characteristics of an ion-selective electrode for fentanyl-drug cation, based on an ion-pair complex with tetrakis[3,5-bis-(trifluoromethyl)phenyl]borate anion in a PVC matrix were studied. A linear response for 1 × 10–5mol dm–3to 1 × 10–2mol dm–3drug with a slope of 57.9 ± 0.5 mV/decade was established. The optimum pH range was 2 to 6. The lower detection limit was 6.29 × 10–6mol dm–3fentanyl citrate (2.1165 µg cm–3fentanyl). There were negligible interferences from a number of inorganic cations, structural analogues, and some common drug additives in injections. The electrode proposed has been successfully applied to determine fentanyl citrate in injections. The results correlated well with those obtained by the United States Pharmacopoeia standard procedure.

A fungus biosensor based on an oxygen electrode andAspergillus ustusimmobilized in poly(vinyl alcohol) was developed to determine tannic acid in a batch system. The optimum temperature was 30.0°C and the optimum pH was 7.0 in 0.10 M phosphate buffer. The regression equation of the calibration curve between 0.0250 and 1.025 mM was (x lny)(−0.72724−x0.53/54)+C(xlny)(−0.21891−x0.08/2)=A+B/x(r≥ 0.99985). The sensor had a life of at least 2 weeks; it yielded a negligible response to the compounds commonly coexisting with vegetable tannins.

A new phenylspirodrimane derivative, stachartin F (1), and 2 known secondary metabolites stachybonoid E (2) and stachybonoid F (3) were isolated from cultures of the tin mine tailings-associated fungus Stachybotrys chartarumYIM DT 10079. Their structures were determined with the help of extensive spectroscopic analyses and absolute configuration of compound 1was rationalized by quantum chemical calculations of the electronic circular dichroism spectra.

isolation and structure elucidation of phenazinolins A (Ia), B (Ib), C (II), D (IIIa) and E (IIIb), cytotoxic activity for compounds (I) and (II)

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