Isolation, Screening and Identification of Biosurfactant Producing Strain Nocardiopsis dassonvillei var B2 From Oil Contaminated Soil.

Petroleum and other oil manufacturing industries contribute to environmental pollution by releasing hazardous hydrocarbons. Biosurfactants offer a sustainable solution for mitigating oil pollution through emulsification processes, safeguarding agricultural soils, aquatic ecosystems, and human health. This study focuses on isolating, screening, and identifying actinomycetes producing biosurfactant from oil-polluted soil in the naval dockyard of Visakhapatnam.

Synthesized diterpene lactone derivative attenuated Freund's complete adjuvant-induced arthritis in Wistar rats.

Objectives: In this study, the SP-38 (Diterpene Lactone derivative) was designed, synthesized from clerodane diterpene (lactone) isolated from var. pendula, and tested for anti-arthritic activity using the FCA-induced arthritic rat model.

Materials And Methods: This study examined the effects of SP-38 using three different doses (20, 10, and 5 mg/kg) by oral administration for 21 days from day 8 after 0.

Design, synthesis, and anti-mycobacterial evaluation of 1,8-naphthyridine-3-carbonitrile analogues.

Twenty-eight compounds, , 1,8-naphthyridine-3-carbonitrile (ANC and ANA) derivatives, were designed and synthesized through a molecular hybridization approach. The structures of these compounds were analyzed and confirmed using H NMR, C NMR, LCMS, and elemental analyses. The synthesized compounds were evaluated by testing for their effectiveness against tuberculosis using the MABA assay, targeting the H37Rv strain.

Synthesized pyrrole ester ameliorates adjuvant‑induced arthritis in Wistar rats by alleviating inflammation and downregulating the pro‑inflammatory cytokines.

Piperine is an amide alkaloid responsible for producing the pungent smell that comes from black pepper. Piperine has been explained to exhibit significant properties such as anti-rheumatic, anti-inflammatory, and antihypertensive effects. The aim of the study was to synthesize pyrrole ester from piperine and evaluate its anti-arthritis effects in adjuvant-induced arthritis female Wistar rats.

Iron(III)-Catalyzed Regioselective Synthesis of Electron-Rich Benzothiazoles from Aryl Isothiocyanates via C-H Functionalization.

We report herein a direct synthetic route for the preparation of 2-arylbenzothiazoles using aryl isothiocyanates and electron-rich arenes. The synthetic route involves triflic acid promoted addition of the arenes to aryl isothiocyanates followed by FeCl-catalyzed C-S bond formation via C-H functionalization. The approach provides the advantage of synthesis of benzothiazoles without the conventional use of aryl aldehyde/carboxylic acid precursors employing the less expensive iron(III) catalyst.

Design, synthesis and evaluation of 1-(1,5-bis(4-substituted phenyl)-2-methyl-1-pyrrol-3-yl)--methylmethanamines as SERT inhibitors with potential antidepressant action.

BM212 is a potent anti-TB agent with pharmacophoric features similar to the antidepressant drug sertraline. The shape-based virtual screening of the DrugBank database on BM212 resulted in the identification of several CNS drugs with appreciable Tanimoto scores. The docking simulations also ascertained the selectivity of BM212 towards the serotonin reuptake transporter protein (SERT) with a docking score of -6.

Design, synthesis and anti-mycobacterial evaluation of imidazo[1,2-]pyridine analogues.

Based on the molecular hybridization strategy, thirty-four imidazo[1,2-]pyridine amides (IPAs) and imidazo[1,2-]pyridine sulfonamides (IPSs) were designed and synthesized. The structures of the target compounds were characterized using H NMR, C NMR, LCMS, and elemental analyses. The synthesized compounds were evaluated for anti-tubercular activity using the microplate Alamar Blue assay against H37Rv strain and the MIC was determined.

Structure-based drug design, synthesis and screening of MmaA1 inhibitors as novel anti-TB agents.

Tuberculosis is one of the leading causes of death across the world. The treatment regimens for tuberculosis are well established, but still the control of the disease faces many challenges such as lengthy treatment protocols, drug resistance and toxicity. In the present work, mycolic acid methyl transferase (MmaA1), a protein involved in the maturation of mycolic acids in the biochemical pathway of the Mycobacterium, was studied for novel drug discovery.

Synthesis, screening and docking analysis of novel benzimidazolium compounds as potent anti microbial agents targeting FtsZ protein.

The dominance of multi drug resistance in the clinically significant bacteria led to urgency in the development of new antibiotics with novel mechanism of action. Among the biochemical targets explored for selective toxicity, molecular mechanisms involving cell division remained focal point for novel antimicrobial drug discovery. For this purpose we have performed in-silico studies of FtsZ protein and obtained benzimidazolium compounds as potential hits.

Synthesis, in vitro and in silico evaluation of diaryl heptanones as potential 5LOX enzyme inhibitors.

A new series of diaryl heptanones (12a-q) were synthesized and their structures were confirmed by its H, C NMR and Mass spectral data. These analogs were evaluated for their anti-oxidant activity and potential to inhibit 5-lipoxygenase. Compounds 12k and 12o showed potent in vitro 5-lipoxygenase enzyme inhibitory activity with IC values of 22.

Synthesis of new analogs of AKBA and evaluation of their anti-inflammatory activities.

A new series of 11-keto-β-boswellic acid and 3-O-acetyl-11-keto-β-boswellic acid analogs (5, 7, 8, 10, 13, 18a-d, 27a-c, 28a-d) were synthesized by modification of hydroxyl and acid functional moieties of boswellic acids. The structures of these analogs were confirmed by spectral data analysis (H, C NMR and mass). Compounds 18b, 27a and 8 showed potent 5-lipoxygenase enzyme inhibitory activity (IC: 19.

Synthesis, screening and docking analysis of hispolon analogs as potential antitubercular agents.

A series of 20 hispolons/dihydrohispolons were synthesized and characterized by spectral data. These compounds were subjected to in vitro antitubercular activity screening against Mycobacterium tuberculosis (H37Rv) strain. The synthesized compounds showed varied antitubercular activity ranging from 100 to 1.

Seeking potent anti-tubercular agents: Design, synthesis, anti-tubercular activity and docking study of various ((triazoles/indole)-piperazin-1-yl/1,4-diazepan-1-yl)benzo[d]isoxazole derivatives.

A series of thirty eight novel 3-(4-((substituted-1H-1,2,3-triazol-4-yl)methyl)piperazin-1-yl/1,4-diazepan-1-yl)benzo[d]isoxazole and 1-(4-(benzo[d]isoxazol-3-yl)piperazin-1-yl/1,4-diazepan-1-yl)-2-(1H-indol-3-yl)substituted-1-one analogues were synthesised, characterised using various analytical techniques and evaluated for in vitro anti-tubercular activity against Mycobacterium tuberculosis H37Rv strain and two 'wild' strains Spec. 210 and Spec. 192.

3D QSAR analysis of 2-(substituted aryl)-thiazolidine-4-carboxamides as potent antitubercular agents.

Thiazolidine-4-carboxylic acid derivatives were recognized recently for their potent antitubercular activity. A total of sixty four thiazolidine derivatives published in the recent times were collected and 3D QSAR models were developed, using CoMFA and COMSIA with high predictability. Later, we selected three new molecules, recently synthesized in our lab and evaluated them using the developed QSAR models.

Denigrins A-C: new antitubercular 3,4-diarylpyrrole alkaloids from Dendrilla nigra.

Chemical diversity is vital to antitubercular drug discovery as it ensures a novel bioactivity profile. Marine sponges have so far provided more than 1000 new bioactive molecules. Ethyl acetate extract of the marine sponge Dendrilla nigra on bioactivity-guided screening yielded three new compounds denigrins A-C, with potent antitubercular activity.

Rubrolide R: a new furanone metabolite from the ascidian Synoicum of the Indian Ocean.

A new furanone metabolite of the rubrolide family, rubrolide R as diacetate (1), was isolated from a new species of the ascidian Synoicum, besides the known compounds rubrolide A (as diacetate), cadiolide B and prunolide A. The structure of the new rubrolide was elucidated by a study of spectral data. The crude extract and isolated compounds (prunolide A and cadiolide B) showed antiviral activity against the Japanese encephalitis virus.

Novel Pyridinium compound from marine actinomycete, Amycolatopsis alba var. nov. DVR D4 showing antimicrobial and cytotoxic activities in vitro.

Marine sediment samples from Visakhapatnam coast of Bay of Bengal, India, were investigated as a source of actinomycetes to screen for the production of antibiotics and cytotoxic compounds. Actinomycete strain DVR D4 with interesting bioactivity profile was isolated during our systematic study of marine actinomycetes. Based on biochemical properties and 16S rDNA analysis the isolate DVR D4 was identified as a strain of Amycolatopsis alba.

AUDocker LE: A GUI for virtual screening with AUTODOCK Vina.

Background: AUTODOCK Vina is an open-source program which is steadfast and authentic to perform docking simulations. Though, Auto Dock Tools can help perform docking simulations with Vina, it largely remains as a platform for docking single molecule at a time.

Findings: "AUDocker LE" is designed with an aim to develop a software tool as a front end graphical interface with C# language to perform docking experiments in Windows based computers.