Bioefficacy, chromatographic profiling and drug-likeness analysis of flavonoids and terpenoids as potential inhibitors of H1N1 influenza viral proteins.

Considering medicinal plants, natural products present in these plants are the best sources of medications for combating viral infection. The possible drug target against viral H1N1 influenza proteins lead to identification of selected secondary metabolites from potential plants Tinospora cordifolia, Ocimum sanctum, and Piper nigrum. On analysis of in vitro cell based antiviral activity of the selected plant extracts, an indication for a possible lead compound against neuraminidase activity was evident.

Dynamic Play between Human N-α-acetyltransferase D and H4-mutant Histones: Molecular Dynamics Study.

Background: Many N-terminal acetyltransferases (NATs) play important role in the posttranslational modifications of histone tails. Research showed that these enzymes have been reported upregulated in many cancers. NatD is known to acetylate H4/H2A at the N-terminal.

AMPA GluA2 subunit competitive inhibitors for PICK1 PDZ domain: Pharmacophore-based virtual screening, molecular docking, molecular dynamics simulation, and ADME studies.

PICK1 (Protein interacting with C kinase-1) plays a key role in the regulation of intracellular trafficking of AMPA GluA2 subunit that is linked with synaptic plasticity. PICK1 is a scaffolding protein and binds numerous proteins through its PDZ domain. Research showed that synaptic plasticity is altered upon disrupting the GluA2-PDZ interactions.

In silico characterization of mutations circulating in SARS-CoV-2 structural proteins.

SARS-CoV-2 has recently emerged as a pandemic that has caused more than 2.4 million deaths worldwide. Since the onset of infections, several full-length sequences of viral genome have been made available which have been used to gain insights into viral dynamics.

Peptide modelling and screening against human ACE2 and spike glycoprotein RBD of SARS-CoV-2.

Outbreak of Coronavirus Disease 2019 (COVID-19) has become a great challenge for scientific community globally. Virus enters cell through spike glycoprotein fusion with ACE2 (Angiotensin-Converting Enzyme 2) human receptor. Hence, spike glycoprotein of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) is a potential target for diagnostics, vaccines, and antibodies.

Crystal structure and Hirshfeld surface analysis of methyl 4-[()-2-(5-bromo-2-meth-oxy-benzyl-idene)hydrazin-yl]-3-nitro-benzoate.

The title compound, CHBrNO, is a novel halogen (Br) substituted hydrazine derivative. The hydrazine derivatives were the group of compounds with the general structure, C=NNH (Uppal , 2011 ▸), with the central C=NNH moiety bridging two different groups on both sides. An all- configuration of the backbone (C=NNH) results in an extended mol-ecular conformation.

Ethnobotanical aspects of some plants of aravalli hills in north gujarat.

The Aravalli ranges run along the Sabarkantha district is the ancient region of India, inhibited by tribals living in close vicinity of enriched forest. The present paper contains various ethnobotanical aspects of some plant species used by the tribals for their day-to day requirement. The paper includes the first hand information collected through tribal informants, medicinemen and tribal people of several villages during the field trips in the region for last three years in different seasons.