First report of brittle stars (Echinodermata: Ophiuroidea) from a seamount in the eastern Arabian Sea.

This paper reports two species-Ophiozonella molesta (Koehler, 1904) and Ophiothamnus venustus Matsumoto, 1915, from a seamount in the Eastern Arabian Sea. This forms the first ever report of Ophiothamnus venustus from the Indian Ocean, and the first verified report of Ophiozonella molesta from Indian waters. This is the first ever work to document benthic invertebrates from seamounts in the Arabian Sea.

Dynamacophore model for breast cancer estrogen receptor alpha as an effective lead generation screening technique.

Regardless to overwhelming quantum of cancer research worldwide, there are few drugs on the market to treat disease conditions. This is owing to multiple process inferences of drug targets in integrated pathways for invasion, growth, and metastasis. Over the past years, the death rate due to breast cancer has been increasing, that set the stage for improved better treatment. Therefore, there is a persistent and vital demand for innovative development of drugs to treat breast cancer. Many studies have reported that more than 60% of breast cancers are Estrogen receptor-α (ERα)-positive tumours and a key transcription factor, Estrogen receptor-α (ERα) was believed to promote proliferation of breast cancer cells. In this study, 150 ns of molecular dynamics was performed for protein-ligand complex to retrieve the potential stable conformations. The most populated dynamics cluster of 4-Hydroxytamoxifen intact with active site amino acid was selected to generate dynamacophore model (dynamic pharmacophore). Further, internal model validation with AU-ROC values ∼0.93 indicate the best model to screen library. The refined hits are funnelled in pharmacokinetics/dynamics, CDOCKER molecular docking, MM-GBSA and density functional theory to identify the promising ERα ligand candidates.Communicated by Ramaswamy H. Sarma.

Heavy metal contamination along different tidal zones of a tropical Bay of Bengal coastal environment influenced by various anthropogenic activities.

The spatiotemporal variations of five heavy metals (Cd, Cu, Cr, Pb, and Zn) in the beach sediments along the Tamil Nadu coast sourced from various anthropogenic activities were assessed using atomic absorption spectrophotometry (AAS). Various pollution monitoring indices were computed to clearly understand the metal pollution status along the Tamil Nadu coastline. The metal concentrations in sediments were typically higher in the summer season than in the monsoon season. In the monsoon season, metal concentration followed a decreasing order of Zn > Cr > Cu > Pb > Cd, and in the summer season, the order was Cr > Zn > Cu > Pb > Cd. During the monsoon season, freshwater runoff from the rainfall dilutes the sediments and their trace element load. However, due to a lack of freshwater influx during the summer season, the heavy metals in the sediments get concentrated and showed elevated levels. Geo-accumulation index, ecological risk index, pollution load index, and contamination degree clearly depict that Cd and Pb have higher accumulation and pose greater hazard when compared with other metals. The rivers flowing in the region also transport the heavy metals from the mainland to the estuaries and coastal environments. Metal levels along the Tamil Nadu coast are influenced by various anthropogenic activities persistent along the coastline. Some of the activities that cause metal contamination are mining, milling, electroplating, furnishing, pharmaceutical industries, fishing, harbor activities, urban runoff, and agricultural runoff, which release a variety of toxic metals into the coastal environment.